SCHEMBL9532138

SCHEMBL9532138

COc1ccc(CCON=C(c2ccccc2)c2cccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.55
KMT2A Q03164 3/20 0.53
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
TBXA2R P21731 6/20 0.47
KDM4E B2RXH2 1/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43

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 0.89 TBXAS1 (0.59) TBXAS1KMT2ATBXA2RKDM4EALDH1A1
SCHEMBL9528664 0.88 TBXAS1 (0.60) TBXAS1KMT2ATBXA2RKDM4EALDH1A1
SCHEMBL9532347 0.87 ABCB1 (0.53) TBXAS1KMT2ACYP11B1CYP11B2TBXA2R
SCHEMBL9532300 0.87 TBXAS1 (0.57) TBXAS1KMT2ATBXA2RKDM4EALDH1A1
SCHEMBL9529764 0.87 TBXAS1 (0.56) TBXAS1KMT2ATBXA2RALDH1A1MAPT
SCHEMBL9527829 0.85 MAPK1 (0.55) TBXAS1KMT2ATBXA2RALDH1A1MAPT
SCHEMBL9528365 0.85 TBXAS1 (0.58) TBXAS1KMT2ATBXA2RKDM4EALDH1A1
SCHEMBL9527554 0.84 ALDH1A1 (0.61) TBXAS1KMT2ATBXA2RKDM4EALDH1A1
SCHEMBL9532489 0.84 CYP11B1 (0.52) TBXAS1KMT2ACYP11B1CYP11B2KDM4E
SCHEMBL9529072 0.84 CYP11B1 (0.54) TBXAS1KMT2ACYP11B1CYP11B2KDM4E

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