SCHEMBL2593474

SCHEMBL2593474

CNC(=O)Cn1ccc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.65
NTSR1 P30989 1/20 0.59
MAPK1 P28482 2/20 0.55
IDO1 P14902 1/20 0.53
CDK4 P11802 1/20 0.52
CCND1 P24385 1/20 0.52
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
GLS O94925 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MGLL Q99685 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
CDK5 Q00535 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
SCHEMBL7876613 0.83 KMT2A (0.65) KMT2ANTSR1MAPK1IDO1CDK4
SCHEMBL3307080 0.82 KMT2A (0.68) KMT2ANTSR1MAPK1IDO1LMNA
SCHEMBL9701534 0.81 KMT2A (0.71) KMT2ANTSR1MAPK1CDK4CCND1
SCHEMBL30074152 0.81 KMT2A (0.71) KMT2ANTSR1MAPK1CDK4CCND1
SCHEMBL29827118 0.80 KMT2A (0.65) KMT2ANTSR1MAPK1CDK4CCND1
SCHEMBL5336099 0.80 KMT2A (0.65) KMT2ANTSR1MAPK1CDK4CCND1
SCHEMBL6138108 0.80 KMT2A (0.69) KMT2ANTSR1MAPK1IDO1CDK4
SCHEMBL12605550 0.80 KMT2A (0.59) KMT2ANTSR1MAPK1IDO1LMNA
SCHEMBL6138085 0.79 NTSR1 (0.73) KMT2ANTSR1MAPK1CYP1A2CYP3A4
SCHEMBL1598786 0.79 KMT2A (1.00) KMT2ANTSR1MAPK1CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011138265-A2 INDOLE AND INDAZOLE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 WO claimed
WO-2011138265-A2 INDOLE AND INDAZOLE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 WO disclosed
WO-2010047737-A2 ANTIMICROBIAL INDOLINE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (KY) 2010-04-29 WO disclosed
EP-2134721-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS Micurx Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
WO-2008108988-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2008-09-12 WO disclosed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US disclosed