SCHEMBL5019587

SCHEMBL5019587

COc1ccc(F)cc1C(=O)Nc1ccc(C2=C(C)CCN(c3nnn(C)n3)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCLAT1 Q6UWP7 1/20 0.40
ABCB1 P08183 5/20 0.40
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MTOR P42345 1/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
THRB P10828 1/20 0.38
GAA P10253 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
POLB P06746 2/20 0.37
AHR P35869 2/20 0.37

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
SCHEMBL5019754 0.88 GRM5 (0.40) KMT2AMEN1TP53THRB
SCHEMBL5019740 0.85 GAA (0.42) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL1781817 0.85 KMT2A (0.50) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL986998 0.82 STIM1 (0.42) KMT2A
SCHEMBL5019638 0.81 KMT2A (0.41) LCLAT1MAPTKMT2ANPC1RAB9A
SCHEMBL5019609 0.81 AVPR2 (0.42) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL5019637 0.81 KMT2A (0.41) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL4561040 0.81 KMT2A (0.35) MAPTKMT2ANPC1RAB9ATSHR
SCHEMBL987243 0.80 IL2 (0.43) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL5019742 0.80 MAPT (0.39) MAPTKMT2ANPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012064808-A1 TETRAZOLYL - TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE - RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2012-05-18 WO disclosed