SCHEMBL12763598

SCHEMBL12763598

CCc1cc(Cl)c(C#N)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELE P16581 1/20 0.37
VCAM1 P19320 1/20 0.37
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PGK1 P00558 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.30
CYP2A6 P11509 1/20 0.30
ADORA2A P29274 1/20 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
SCHEMBL27398504 0.79 MEN1 (0.31) KMT2AMEN1
SCHEMBL12763605 0.79 KDM4E (0.33) SELEVCAM1KMT2AALDH1A1KDM4E
SCHEMBL1469521 0.79 CYP2A6 (0.34) KMT2AMEN1CYP2A6
SCHEMBL26585026 0.78 ALDH1A1 (0.39) KMT2AALDH1A1KDM4EUSP2GAA
SCHEMBL22833057 0.78 MME (0.44) KMT2AALDH1A1KDM4EUSP2GAA
Hydrochloric Acid SCHEMBL5988273 0.78 CYP2A6 (0.33) KMT2AMEN1CYP2A6
SCHEMBL21653333 0.74
SCHEMBL10078226 0.73
SCHEMBL22833216 0.73
SCHEMBL26585027 0.71 MAPT (0.39) VCAM1KMT2AALDH1A1KDM4EUSP2

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
US-7932284-B2 Indole sulfonamide modulators of progesterone receptors ELI LILLY AND COMPANY (US) 2011-04-26 US disclosed