SCHEMBL9347463

SCHEMBL9347463

CCc1cc2[nH]c(=O)c(C#N)cc2c(CC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
MAPK1 P28482 1/20 0.37
KDM5A P29375 1/20 0.36
KDM4E B2RXH2 6/20 0.36
PDE9A O76083 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HPGD P15428 2/20 0.35
PDE5A O76074 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
PTGS1 P23219 1/20 0.35
PDE4A P27815 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
GAA P10253 2/20 0.35
PARP1 P09874 1/20 0.34

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
SCHEMBL9663795 0.80 MAPK1 (0.35) MAPK1CYP2C19KMT2A
SCHEMBL9346549 0.80 BRD4 (0.40) PDE3BPDE3AKDM4EHPGDGAA
SCHEMBL9347456 0.76 PLK4 (0.46) PDE3BPDE3AMAPK1KDM4EHPGD
SCHEMBL9346572 0.75 GAA (0.43) KDM4EHPGDLMNATSHRBLM
SCHEMBL9347398 0.74 MEN1 (0.48) MAPK1KDM4EHPGDALDH1A1KMT2A
SCHEMBL3179823 0.72 PDE3B (0.58) PDE3BPDE3AKDM4EHPGDLMNA
SCHEMBL7283404 0.71 ALDH1A1 (0.51) KDM4EHPGDLMNAGAAALDH1A1
SCHEMBL9347480 0.71 KDM4E (0.42) KDM4ELMNAALDH1A1
SCHEMBL9346657 0.70 LMNA (0.45) MAPK1KDM4EHPGDLMNAGAA
SCHEMBL9346570 0.69 HPGD (0.45) KDM5AKDM4EHPGDCYP2C19ALDH1A1

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
US-5294620-A Hypotensive agents or compounds for cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-03-15 US disclosed
US-5217976-A Hypotensive agents, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US disclosed