SCHEMBL9532901

SCHEMBL9532901

CSc1cccc(NCc2ccc(-c3ccccc3C#N)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 5/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
KDM4E B2RXH2 3/20 0.52
CYP1A2 P05177 5/20 0.48
CYP3A4 P08684 5/20 0.48
CYP2C9 P11712 5/20 0.48
CYP2C19 P33261 4/20 0.48
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 3/20 0.43
HSD17B10 Q99714 3/20 0.43
CYP2D6 P10635 2/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
BLM P54132 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
FFAR1 O14842 1/20 0.42
HPGD P15428 2/20 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
SCHEMBL6696407 0.87 HSD17B10 (0.50) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL20183521 0.82 HSD17B10 (0.53) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL9534641 0.81 HDAC1 (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL22964292 0.77 MEN1 (0.67) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL24913266 0.76 ESR2 (0.46) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL7435402 0.74 ESR2 (0.56) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6696096 0.73 PTPN5 (0.46) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL9532896 0.71 ESR2 (0.42) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL10061705 0.70 ESR2 (0.54) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL6606339 0.69 ESR2 (0.49) ALDH1A1MEN1KMT2AKDM4ECYP1A2

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 3 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
EP-0500297-A1 Substituted pyridinones and pyrimidinones as angiotensin II antagonists FISONS plc (GB) 1992-08-26 EP disclosed