SCHEMBL19601

SCHEMBL19601

CN(C)C(=O)c1cc[c]cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ERN1 O75460 2/20 0.40
HSP90AA1 P07900 1/20 0.39
PDK2 Q15119 1/20 0.39
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
MAPT P10636 1/20 0.38
CYP3A4 P08684 4/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP2D6 P10635 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
HDAC4 P56524 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5318807 0.87 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2ERN1PDK2
SCHEMBL27824460 0.82 ALDH1A1 (0.36) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL1004649 0.82 ALDH1A1 (0.73) ALDH1A1HPGDSMN1; SMN2ERN1HSP90AA1
SCHEMBL27582338 0.80 ALDH1A1 (0.35) ALDH1A1HPGDSMN1; SMN2MAPTKDM4E
SCHEMBL1642738 0.79 MLYCD (0.51) ALDH1A1HPGDSMN1; SMN2KDM4EMEN1
SCHEMBL6969493 0.79 ALDH1A1 (0.35) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL2902770 0.79 HDAC4 (0.42) ALDH1A1HPGDSMN1; SMN2PDK2MAPT
SCHEMBL4287352 0.77 MLYCD (0.36) ALDH1A1HPGDSMN1; SMN2HDAC4
SCHEMBL7744556 0.76 NPSR1 (0.50) ALDH1A1HPGDMAPTKDM4ECYP2D6
SCHEMBL467330 0.76 HPGD (0.56) ALDH1A1HPGDSMN1; SMN2HSP90AA1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2213 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024121013-A1 SULFONYL DERIVATIVES AS CCR6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-06-13 WO claimed
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
EP-3856348-B1 PYRAZOLO[4,3-D]PYRIMIDINE COMPOUNDS AS ALK2 AND/OR FGFR MODULATORS INCYTE CORP (US) 2024-01-03 EP claimed
US-11753408-B2 Compounds and method for blocking transmission of malarial parasite THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-12 US claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP claimed
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2022-12-15 US claimed
US-20220017521-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2022-01-20 US claimed
EP-3218374-B1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN GENENTECH INC (US) 2021-12-29 EP claimed
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP claimed
CN-113717209-A Synthesis method of alkyl silicon compound 南通大学 2021-11-30 CN claimed
US-5877312-A Method for preparing alkylating agents for their use for alkylating cyclic ureas DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-02 US claimed
EP-0830349-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-25 EP claimed
US-5637780-A Method for preparing alkylating agents and their use for alkylating cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-10 US claimed
EP-0767770-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-04-16 EP claimed
WO-1996039393-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-12 WO claimed
WO-1996000708-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-11 WO claimed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP claimed
EP-0075434-A2 Cephalosporins, their preparation and their pharmaceutical compositions ICI PHARMA (FR) 1983-03-30 EP claimed
EP-0071370-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them ICI PHARMA (FR) 1983-02-09 EP claimed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP claimed