SCHEMBL4600323

SCHEMBL4600323

COc1ccc2nccc(C(N)=O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
LMNA P02545 1/20 0.76
MAPK1 P28482 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
PLA2G10 O15496 1/20 0.56
AURKA O14965 3/20 0.55
MET P08581 3/20 0.55
KDR P35968 3/20 0.55
TEK Q02763 3/20 0.55
AURKB Q96GD4 3/20 0.55
CYP1A2 P05177 1/20 0.54
MTNR1A P48039 3/20 0.52
MTNR1B P49286 3/20 0.52
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
DDR2 Q16832 1/20 0.49
SLC22A12 Q96S37 1/20 0.49
HTR1A P08908 1/20 0.49

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
Oxalic Acid SCHEMBL5634749 0.96 KDM4E (0.92) KDM4ELMNAMAPK1NPSR1PLA2G10
SCHEMBL39557 0.86 LMNA (1.00) KDM4ELMNAMAPK1NPSR1CYP1A2
SCHEMBL30120700 0.86 LMNA (1.00) KDM4ELMNAMAPK1NPSR1CYP1A2
SCHEMBL3079277 0.85 LMNA (0.97) KDM4ELMNAMAPK1NPSR1CYP1A2
Ammonia Solution, Strong SCHEMBL1760797 0.85 LMNA (0.97) KDM4ELMNAMAPK1NPSR1CYP1A2
SCHEMBL4353000 0.85 LMNA (0.97) KDM4ELMNAMAPK1NPSR1CYP1A2
Hydrochloric Acid SCHEMBL9081231 0.85 LMNA (0.97) KDM4ELMNAMAPK1NPSR1CYP1A2
SCHEMBL3076842 0.85 LMNA (0.97) KDM4ELMNAMAPK1NPSR1CYP1A2
SCHEMBL3074710 0.85 LMNA (0.97) KDM4ELMNAMAPK1NPSR1CYP1A2
SCHEMBL8877868 0.85 LMNA (0.76) KDM4ELMNAMAPK1NPSR1KDR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113979938-B Preparation method of FAP-alpha inhibitor and intermediate 6-methoxy-4-carboxylic acid quinoline of tumor diagnosis imaging agent 南京恒远科技开发有限公司 2022-03-04 CN claimed
CN-113979938-A Preparation method of FAP-alpha inhibitor and intermediate 6-methoxy-4-carboxylic acid quinoline of tumor diagnosis imaging agent 南京恒远科技开发有限公司 2022-01-28 CN claimed
CN-1535272-A Nitrogen-containing bicyclic heterocycles ʷ 2004-10-06 CN claimed
CN-113979938-B Preparation method of FAP-alpha inhibitor and intermediate 6-methoxy-4-carboxylic acid quinoline of tumor diagnosis imaging agent 南京恒远科技开发有限公司 2022-03-04 CN disclosed
CN-113979938-A Preparation method of FAP-alpha inhibitor and intermediate 6-methoxy-4-carboxylic acid quinoline of tumor diagnosis imaging agent 南京恒远科技开发有限公司 2022-01-28 CN disclosed
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO disclosed