SCHEMBL112861

SCHEMBL112861

CC(C)(CC#N)OC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.36
DPP4 P27487 2/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALOX15 P16050 1/20 0.31
CTSK P43235 3/20 0.30
CTSS P25774 2/20 0.30

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
SCHEMBL5052010 0.82 CTSK (0.32) MCL1CTSKCTSS
SCHEMBL5052011 0.80 CTSK (0.34) CTSKCTSS
SCHEMBL13461325 0.80 GAA (0.41) CTSKCTSS
SCHEMBL16013251 0.78 LMNA (0.31) LMNAHSD17B10ALOX15
SCHEMBL4706616 0.78 CTSK (0.33) CTSKCTSS
SCHEMBL3290966 0.78 CTSK (0.30) CTSKCTSS
SCHEMBL11469145 0.78 CTSK (0.30) CTSKCTSS
SCHEMBL13818684 0.77 CTSS (0.36) MCL1DPP4CTSKCTSS
SCHEMBL3063434 0.77 CTSK (0.33) LMNAHSD17B10ALOX15CTSK
SCHEMBL27790092 0.76 MEN1 (0.37) MCL1DPP4LMNAHSD17B10CTSK

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 3721 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060334-B2 3-substituted phenazine derivatives as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-08-13 US claimed
EP-3715346-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2024-01-03 EP claimed
EP-2970107-B1 PHOTOSWITCHABLE HDAC INHIBITORS MASSACHUSETTS GEN HOSPITAL (US) 2023-11-15 EP claimed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
EP-3291676-B1 MITRAGYNINE ANALOGS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2022-08-17 EP claimed
US-11241435-B2 Uses of salt-inducible kinase (SIK) inhibitors for treating osteoporosis THE GENERAL HOSPITAL CORPORATION (US) 2022-02-08 US claimed
EP-3172213-B1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-09-22 EP claimed
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-22 US claimed
EP-3171874-B1 IMIDAZOLYL KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2020-11-18 EP claimed
US-10711036-B2 MALT1 inhibitors and uses thereof CORNELL UNIVERSITY (US) 2020-07-14 US claimed
EP-3209648-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2020-03-11 EP claimed
US-10112957-B2 Thiazolyl-containing compounds for treating proliferative diseases DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-10-30 US claimed
EP-2751076-B1 SYNTHESIS METHOD AND INTERMEDIATES USEFUL IN THE PREPARATION OF PYRROLOBENZODIAZEPINES MEDIMMUNE LTD (GB) 2018-04-25 EP claimed
US-9856225-B2 Substituted phenazines as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-01-02 US claimed
EP-2550285-B1 TRIOXACARCINS AND USES THEREOF HARVARD COLLEGE (US) 2017-07-19 EP claimed
EP-2558445-B1 INTERMEDIATES USEFUL FOR THE SYNTHESIS OF PYRROLOBENZODIAZEPINES MEDIMMUNE LTD (GB) 2017-03-22 EP claimed
US-20150376201-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-31 US claimed
US-9102704-B2 Synthesis method and intermediates useful in the preparation of pyrrolobenzodiazepines SPIROGEN SARL (CH) 2015-08-11 US claimed
US-20140275522-A1 SYNTHESIS METHOD AND INTERMEDIATES USEFUL IN THE PREPARATION OF PYRROLOBENZODIAZEPINES SPIROGEN SÁRL (CH) 2014-09-18 US claimed
WO-2008013427-A1 ORGANIC TFTS AND METHOD FOR FABRICATING THE SAME LG CHEM, LTD. (KR) 2008-01-31 WO claimed