SCHEMBL10656293

SCHEMBL10656293

COc1ccc(-c2csc([S+](C)[O-])c2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.43
ALDH1A1 P00352 6/20 0.42
MAPT P10636 6/20 0.42
NPSR1 Q6W5P4 6/20 0.42
KDM4E B2RXH2 5/20 0.42
HPGD P15428 4/20 0.42
RXFP1 Q9HBX9 2/20 0.42
ADORA1 P30542 2/20 0.41
SQOR Q9Y6N5 1/20 0.41
PIM1 P11309 3/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
GAA P10253 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.39
CRHBP P24387 1/20 0.39

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
SCHEMBL10652965 0.84 ALDH1A1 (0.38) PRKCZALDH1A1MAPTNPSR1KDM4E
SCHEMBL10654927 0.82 KDM4E (0.40) PRKCZALDH1A1MAPTNPSR1KDM4E
SCHEMBL10654822 0.82 ALDH1A1 (0.39) PRKCZALDH1A1NPSR1KDM4EHPGD
SCHEMBL13991789 0.79 PRKCZ (0.47) PRKCZALDH1A1MAPTNPSR1KDM4E
SCHEMBL15629589 0.78 PRKCZ (0.68) PRKCZALDH1A1MAPTNPSR1KDM4E
SCHEMBL10656103 0.75 ALDH1A1 (0.52) PRKCZALDH1A1MAPTNPSR1KDM4E
SCHEMBL10656208 0.73 NPSR1 (0.50) PRKCZALDH1A1MAPTNPSR1KDM4E
SCHEMBL7574828 0.72 KMT2A (0.55) ALDH1A1MAPTNPSR1KDM4EHPGD
SCHEMBL10655997 0.72 ADORA1 (0.42) PRKCZALDH1A1NPSR1KDM4EHPGD
SCHEMBL10658430 0.70 ALDH1A1 (0.39) ALDH1A1MAPTNPSR1KDM4EHPGD

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