SCHEMBL8003077

SCHEMBL8003077

N=C(N)NCC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
CYP3A4 P08684 4/20 0.54
TDP1 Q9NUW8 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 2/20 0.54
MAPK1 P28482 2/20 0.54
ALOX15 P16050 1/20 0.54
CES1 P23141 1/20 0.54
ALDH1A1 P00352 8/20 0.53
ALOX12 P18054 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.48
LMNA P02545 2/20 0.48
NR4A2 P43354 1/20 0.48
PTPN1 P18031 2/20 0.47
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
CYP1A2 P05177 2/20 0.46

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
SCHEMBL11155054 0.84 CYP3A4 (0.58) MAPTMEN1KMT2ACYP3A4TDP1
SCHEMBL9323577 0.83 MAPT (0.52) MAPTMEN1KMT2ACYP3A4TDP1
SCHEMBL6882217 0.83 F2 (0.37) MAPTMEN1KMT2ACYP3A4TDP1
SCHEMBL6882223 0.83 KDM4E (0.49) MAPTMEN1KMT2ACYP3A4TDP1
Benzamide SCHEMBL27820629 0.81 MAPT (0.57) MAPTMEN1KMT2ACYP3A4TDP1
SCHEMBL20852547 0.81 PARP1 (0.53) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL547365 0.81 ALDH1A1 (0.62) MAPTMEN1KMT2ACYP3A4TDP1
SCHEMBL4576240 0.81 MEN1 (0.54) MAPTMEN1KMT2ACYP3A4TDP1
SCHEMBL2705483 0.81 MEN1 (0.54) MAPTMEN1KMT2ACYP3A4TDP1
SCHEMBL11216066 0.79 MEN1 (0.62) MAPTMEN1KMT2ACYP3A4TDP1

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

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1072644-C 4-fluoroalkyl substituted phenacyl guanidine, its preparing method, application as medicine or diagnosis agent and medicine containing such compound HOECHST AG (DE) 2001-10-10 CN disclosed
WO-2000009116-A1 GRP RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-24 WO disclosed
CN-1143076-A 4-fluoroalkyl substituted phenacyl guanidine, its preparing method, application as medicine or diagnosis agent and medicine containing such compound HOECHST AG (DE) 1997-02-19 CN disclosed
US-5376685-A Arylhydrazones using as SAMDC inhibitors CIBA-GEIGY CORPORATION (US) 1994-12-27 US disclosed
US-5238941-A S-adenosylmethionine decarboxylase inhibitors CIBA-GEIGY CORPORATION (US) 1993-08-24 US disclosed
EP-0335832-B1 ARYL HYDRAZONES CIBA-GEIGY AG (CH) 1993-02-10 EP disclosed
US-5118709-A Decarboxylase enzyme inhibitors; antitumor agents CIBA-GEIGY CORPORATION (US) 1992-06-02 US disclosed
US-4971986-A ANTITUMOR AGENTS CIBA-GEIGY CORPORATION (US) 1990-11-20 US disclosed
EP-0335832-A2 Aryl hydrazones CIBA-GEIGY AG (CH) 1989-10-04 EP disclosed