SCHEMBL9532300

SCHEMBL9532300

c1ccc(CCON=C(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.57
TAAR1 Q96RJ0 1/20 0.55
LMNA P02545 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TBXA2R P21731 10/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
GPR52 Q9Y2T5 1/20 0.47

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
SCHEMBL9528581 0.99 TBXAS1 (0.59) TBXAS1TAAR1LMNAALDH1A1KDM4E
SCHEMBL9528365 0.94 TBXAS1 (0.58) TBXAS1TAAR1LMNAALDH1A1KDM4E
SCHEMBL9527554 0.91 ALDH1A1 (0.61) TBXAS1TAAR1LMNAALDH1A1KDM4E
SCHEMBL9527676 0.90 TBXAS1 (0.63) TBXAS1LMNAALDH1A1KDM4ETBXA2R
SCHEMBL9529664 0.90 TBXAS1 (0.63) TBXAS1LMNAALDH1A1KDM4ETBXA2R
SCHEMBL9528664 0.90 TBXAS1 (0.60) TBXAS1TAAR1LMNAALDH1A1KDM4E
SCHEMBL9532127 0.89 TBXAS1 (0.62) TBXAS1LMNAALDH1A1KDM4ETBXA2R
SCHEMBL9531103 0.89 TBXAS1 (0.50) TBXAS1TAAR1LMNAALDH1A1KDM4E
SCHEMBL9529953 0.89 ALDH1A1 (0.60) TBXAS1TAAR1LMNAALDH1A1KDM4E
SCHEMBL9528066 0.89 TBXAS1 (0.53) TBXAS1TAAR1LMNAALDH1A1KDM4E

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