SCHEMBL9506392

SCHEMBL9506392

CCOc1ccc(-c2cnc(-c3cc(F)c(C#N)c(F)c3)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
CHRNA7 P36544 9/20 0.43
PDE3A Q14432 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
XDH P47989 1/20 0.39
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL9507851 0.91 KDM4E (0.45) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL9506551 0.90 KDM4E (0.50) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL9506414 0.88 KDM4E (0.50) CYP11B1CYP11B2KDM4EALDH1A1HPGD
SCHEMBL24076492 0.87 CYP11B1 (0.50) CYP11B1CYP11B2PDE3AKDM4EALDH1A1
SCHEMBL9506037 0.87 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9507799 0.87 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9506105 0.87 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9506393 0.87 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9506339 0.87 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9506375 0.87 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0317175-B1 PYRIMIDINE DERIVATIVES SEIKO EPSON CORPORATION (JP) 1993-09-22 EP claimed
EP-0317175-A2 Pyrimidine derivatives SEIKO EPSON CORPORATION (JP) 1989-05-24 EP claimed
EP-0317175-B1 PYRIMIDINE DERIVATIVES SEIKO EPSON CORPORATION (JP) 1993-09-22 EP disclosed
EP-0317175-A2 Pyrimidine derivatives SEIKO EPSON CORPORATION (JP) 1989-05-24 EP disclosed