SCHEMBL10651211

SCHEMBL10651211

CSc1scc(-c2ccc(Cl)c(Cl)c2)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.40
PRKCZ Q05513 3/20 0.40
AHR P35869 4/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
EIF4E P06730 2/20 0.36
KMO O15229 2/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
ABL1 P00519 1/20 0.34

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
SCHEMBL10655134 0.84 KDM4E (0.43) PRKCZADORA2AADORA1MAPTALOX15
SCHEMBL10653878 0.82 ADORA1 (0.43) PRKCZADORA2AADORA1MAPTHTT
SCHEMBL10656806 0.79 NPSR1 (0.42) PRKCZADORA2AADORA1MAPTHTT
SCHEMBL20636491 0.78 MAPK14 (0.43) MAPK14PRKCZAHRADORA2AADORA1
SCHEMBL10651575 0.78 PDCD1 (0.46) PRKCZADORA2AADORA1MAPTALDH1A1
SCHEMBL10655060 0.77 GRIA4 (0.47) ADORA2AADORA1MAPTHSD17B10ALDH1A1
SCHEMBL10656075 0.77 HPGD (0.46) MAPTHSD17B10NPC1ALDH1A1RAB9A
SCHEMBL10654269 0.77 ALDH1A1 (0.47) ADORA2AADORA1MAPTALOX15HSD17B10
SCHEMBL10655150 0.76 MAPK14 (0.40) MAPK14PRKCZAHRADORA2AADORA1
SCHEMBL10656103 0.75 ALDH1A1 (0.52) PRKCZADORA2AADORA1MAPTHTT

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
EP-0273602-A1 3-Cyano-4-arylthiophenes ELI LILLY AND COMPANY (US) 1988-07-06 EP disclosed