SCHEMBL9530560

SCHEMBL9530560

c1ccc(OCCON=C(c2ccccc2)c2cccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.58
TBXA2R P21731 12/20 0.52
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL9529153 0.91 TBXAS1 (0.53) TBXAS1TBXA2RMAPTALDH1A1
SCHEMBL9529764 0.91 TBXAS1 (0.56) TBXAS1TBXA2RMAPTALDH1A1MEN1
SCHEMBL9527590 0.87 ALDH1A1 (0.58) TBXAS1TBXA2RMAPTALDH1A1KMT2A
SCHEMBL8805691 0.86 TBXAS1 (0.56) TBXAS1TBXA2RMAPTALDH1A1MEN1
SCHEMBL8805695 0.86 TBXAS1 (0.56) TBXAS1TBXA2RMAPTALDH1A1MEN1
SCHEMBL9531940 0.85 TBXA2R (0.65) TBXAS1TBXA2R
SCHEMBL5429070 0.84 TBXAS1 (0.52) TBXAS1TBXA2RMAPTALDH1A1MEN1
SCHEMBL5429073 0.84 TBXAS1 (0.52) TBXAS1TBXA2RMAPTALDH1A1MEN1
SCHEMBL9528581 0.82 TBXAS1 (0.59) TBXAS1TBXA2RMAPTALDH1A1MEN1
SCHEMBL9528365 0.81 TBXAS1 (0.58) TBXAS1TBXA2RMAPTALDH1A1MEN1

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