SCHEMBL11249486

SCHEMBL11249486

Cc1ccc(-c2nn(-c3ccccc3)cc2CC#N)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.69
MEN1 O00255 4/20 0.69
RAB9A P51151 3/20 0.69
NPC1 O15118 2/20 0.69
CCNE1 P24864 7/20 0.63
CDK2 P24941 7/20 0.63
MAPT P10636 3/20 0.60
NPSR1 Q6W5P4 3/20 0.60
ALDH1A1 P00352 3/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 2/20 0.60
MAPK1 P28482 1/20 0.60
KDM4E B2RXH2 3/20 0.57
USP2 O75604 1/20 0.57
HPGD P15428 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57

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
SCHEMBL11240095 0.90 KDM4E (0.60) KMT2AMEN1RAB9ANPC1CCNE1
SCHEMBL11253401 0.87 CCNE1 (0.58) KMT2AMEN1RAB9ANPC1CCNE1
SCHEMBL11250798 0.86 ALDH1A1 (0.62) KMT2AMEN1RAB9ANPC1CCNE1
SCHEMBL11245692 0.86 RAB9A (0.69) KMT2AMEN1RAB9ANPC1CCNE1
SCHEMBL11247047 0.86 KDM4E (0.64) KMT2AMEN1RAB9ANPC1CCNE1
SCHEMBL11256945 0.86 RAB9A (0.71) KMT2AMEN1RAB9ANPC1CCNE1
SCHEMBL11246134 0.86 KDM4E (0.56) KMT2AMEN1RAB9ANPC1CCNE1
SCHEMBL11540126 0.86 MAPT (0.53) KMT2AMEN1RAB9ANPC1CCNE1
SCHEMBL11250952 0.86 MEN1 (0.51) KMT2AMEN1RAB9ANPC1CCNE1
SCHEMBL8969803 0.83 KMT2A (0.76) KMT2AMEN1RAB9ANPC1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 US disclosed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 US disclosed