SCHEMBL10651771

SCHEMBL10651771

CCOc1cccc(-c2csc(SCC)c2C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
GAA P10253 2/20 0.40
THRB P10828 1/20 0.40
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
NOTUM Q6P988 1/20 0.38
SQOR Q9Y6N5 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
BACE1 P56817 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DHODH Q02127 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL10656232 0.73 ALOX5 (0.40) KDM4EMAPTTDP1GAASQOR
SCHEMBL10653878 0.69 ADORA1 (0.43) KDM4EMAPTTDP1GAAALDH1A1
SCHEMBL9260410 0.67 RXRA (0.66) KDM4EMAPTTDP1GAATHRB
SCHEMBL29426410 0.67 RXRA (0.66) KDM4EMAPTTDP1GAATHRB
SCHEMBL5089020 0.67 FNTA (0.49) RXRARXRBBRD4BRD2CREBBP
SCHEMBL1982690 0.67 PRKCZ (0.65) KDM4EMAPTSQORALDH1A1HPGD
SCHEMBL29012837 0.66 RXRA (0.64) KDM4EMAPTTDP1GAATHRB
SCHEMBL5698013 0.65 RXRA (0.55) KDM4EMAPTTDP1GAATHRB
SCHEMBL10655060 0.65 GRIA4 (0.47) KDM4EMAPTSQORALDH1A1HPGD
SCHEMBL10653113 0.64 ALDH1A1 (0.41) KDM4EMAPTTDP1SQORALDH1A1

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