SCHEMBL9532902

SCHEMBL9532902

Cc1ccsc1NCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.43
WDR5 P61964 1/20 0.43
CYP1A2 P05177 7/20 0.42
CYP3A4 P08684 7/20 0.42
HSD17B10 Q99714 6/20 0.42
ALDH1A1 P00352 6/20 0.42
TSHR P16473 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2C19 P33261 4/20 0.42
CLK4 Q9HAZ1 4/20 0.42
MAPK1 P28482 3/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2D6 P10635 1/20 0.42
BLM P54132 1/20 0.42
ESR2 Q92731 1/20 0.42
KDM4E B2RXH2 4/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL7435402 0.76 ESR2 (0.56) MYCWDR5CYP1A2CYP3A4HSD17B10
SCHEMBL20183521 0.76 HSD17B10 (0.53) MYCWDR5CYP1A2CYP3A4HSD17B10
SCHEMBL6696407 0.73 HSD17B10 (0.50) MYCWDR5CYP1A2CYP3A4HSD17B10
SCHEMBL10061705 0.72 ESR2 (0.54) MYCWDR5CYP1A2CYP3A4HSD17B10
SCHEMBL6606339 0.70 ESR2 (0.49) MYCWDR5CYP1A2CYP3A4HSD17B10
SCHEMBL360601 0.70 ESR2 (0.59) MYCWDR5CYP1A2CYP3A4CYP2C9
SCHEMBL29170999 0.70 ESR2 (0.59) MYCWDR5CYP1A2CYP3A4HSD17B10
SCHEMBL20405268 0.70 ESR2 (0.63) CYP1A2CYP3A4HSD17B10ALDH1A1TSHR
SCHEMBL6957086 0.69 ESR2 (0.47) MYCWDR5CYP1A2CYP3A4HSD17B10
SCHEMBL6606543 0.69 HRH4 (0.54) MYCWDR5CYP1A2CYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572455-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS Astra Pharmaceuticals Limited (GB) 1993-12-08 EP disclosed
WO-1992014714-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS FISONS PLC (GB) 1992-09-03 WO disclosed