SCHEMBL9534641

SCHEMBL9534641

COc1cccc(NCc2ccc(-c3ccccc3C#N)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
NOS1 P29475 1/20 0.46
ALDH1A1 P00352 4/20 0.45
CYP1A2 P05177 4/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2C9 P11712 4/20 0.45
HSD17B10 Q99714 4/20 0.45
USP2 O75604 3/20 0.45
CLK4 Q9HAZ1 3/20 0.45
HIF1A Q16665 3/20 0.45
LMNA P02545 2/20 0.45
FFAR1 O14842 1/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 3/20 0.43

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
SCHEMBL6696407 0.87 HSD17B10 (0.50) HDAC1HDAC8HDAC6ALDH1A1CYP1A2
SCHEMBL20183521 0.82 HSD17B10 (0.53) ALDH1A1CYP1A2CYP3A4CYP2C9HSD17B10
SCHEMBL9532901 0.81 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C9HSD17B10
SCHEMBL10055018 0.80 NOS1 (0.63) HDAC1HDAC8HDAC6BCHEACHE
SCHEMBL9530577 0.78 KDM4E (0.57) HDAC1HDAC8HDAC6CYP1A2CYP2C9
SCHEMBL1757487 0.77 HIF1A (0.63) BCHEACHENOS1ALDH1A1CYP1A2
SCHEMBL30480895 0.77 MAPT (0.64) HDAC1HDAC8HDAC6BCHEACHE
SCHEMBL14689659 0.77 MAPT (0.64) HDAC1HDAC8HDAC6BCHEACHE
SCHEMBL10055048 0.76 NOS1 (0.56) HDAC1HDAC8HDAC6BCHEACHE
SCHEMBL9469502 0.76 ALDH1A1 (0.57) ALDH1A1LMNAKDM4EGAAMEN1

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