SCHEMBL9528581

SCHEMBL9528581

c1ccc(CCON=C(c2ccccc2)c2cccnc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.59
TAAR1 Q96RJ0 1/20 0.53
TBXA2R P21731 11/20 0.53
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 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
SCHEMBL9532300 0.99 TBXAS1 (0.57) TBXAS1TAAR1TBXA2RALDH1A1KDM4E
SCHEMBL9528365 0.96 TBXAS1 (0.58) TBXAS1TAAR1TBXA2RALDH1A1KDM4E
SCHEMBL9527554 0.92 ALDH1A1 (0.61) TBXAS1TAAR1TBXA2RALDH1A1KDM4E
SCHEMBL9529664 0.92 TBXAS1 (0.63) TBXAS1TBXA2RALDH1A1KDM4ELMNA
SCHEMBL9527676 0.92 TBXAS1 (0.63) TBXAS1TBXA2RALDH1A1KDM4ELMNA
SCHEMBL9528664 0.91 TBXAS1 (0.60) TBXAS1TAAR1TBXA2RALDH1A1KDM4E
SCHEMBL9532127 0.91 TBXAS1 (0.62) TBXAS1TBXA2RALDH1A1KDM4ELMNA
SCHEMBL9532138 0.89 TBXAS1 (0.55) TBXAS1TAAR1TBXA2RALDH1A1KDM4E
SCHEMBL9531103 0.88 TBXAS1 (0.50) TBXAS1TAAR1TBXA2RALDH1A1KDM4E
SCHEMBL9529178 0.88 ALDH1A1 (0.60) TBXAS1TAAR1TBXA2RALDH1A1KMT2A

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-0366006-B1 PYRIDYLKETOXIME ETHER COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING IT KAKEN PHARMACEUTICAL CO., LTD. (JP) 1993-09-29 EP claimed
US-4971985-A ANTIISCHEMIC AGENTS, CARDIOVASCULAR DISORDERS KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US claimed
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