SCHEMBL9529664

SCHEMBL9529664

c1ccc(CCCON=C(c2ccccc2)c2cccnc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 12/20 0.63
TBXA2R P21731 15/20 0.57
KMT2A Q03164 1/20 0.53
EPHX2 P34913 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL9527676 0.97 TBXAS1 (0.63) TBXAS1TBXA2RKMT2AEPHX2KDM4E
SCHEMBL9532127 0.96 TBXAS1 (0.62) TBXAS1TBXA2RKMT2AEPHX2KDM4E
SCHEMBL9528581 0.92 TBXAS1 (0.59) TBXAS1TBXA2RKMT2AKDM4EALDH1A1
SCHEMBL9532300 0.90 TBXAS1 (0.57) TBXAS1TBXA2RKMT2AKDM4EALDH1A1
SCHEMBL9528365 0.88 TBXAS1 (0.58) TBXAS1TBXA2RKMT2AKDM4EALDH1A1
SCHEMBL9527554 0.85 ALDH1A1 (0.61) TBXAS1TBXA2RKMT2AKDM4EALDH1A1
SCHEMBL9602658 0.84 TBXA2R (0.81) TBXAS1TBXA2R
SCHEMBL9602647 0.84 TBXA2R (0.81) TBXAS1TBXA2R
SCHEMBL9528664 0.83 TBXAS1 (0.60) TBXAS1TBXA2RKMT2AKDM4EALDH1A1
SCHEMBL8710463 0.83 KMT2A (0.56) TBXAS1TBXA2RKMT2AKDM4EALDH1A1

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-0366006-B1 PYRIDYLKETOXIME ETHER COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING IT KAKEN PHARMACEUTICAL CO., LTD. (JP) 1993-09-29 EP disclosed
US-4971985-A ANTIISCHEMIC AGENTS, CARDIOVASCULAR DISORDERS KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed
EP-0366006-A1 Pyridylketoxime ether compound and pharmaceutical composition containing it KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-05-02 EP disclosed