SCHEMBL9528993

SCHEMBL9528993

O=[N+]([O-])c1cccc(C(=NOCCc2ccccc2)c2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.53
CYP11B1 P15538 4/20 0.53
CYP11B2 P19099 4/20 0.53
MAPT P10636 2/20 0.53
TBXAS1 P24557 7/20 0.48
TBXA2R P21731 5/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 5/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.46
AGTR1 P30556 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.45

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 0.84 TBXAS1 (0.57) TBXAS1TBXA2RKMT2AALDH1A1SMN1; SMN2
SCHEMBL9528581 0.83 TBXAS1 (0.59) MAPTTBXAS1TBXA2RKMT2AALDH1A1
SCHEMBL9528066 0.81 TBXAS1 (0.53) CYP11B1CYP11B2MAPTTBXAS1TBXA2R
SCHEMBL9529953 0.81 ALDH1A1 (0.60) MAPTTBXAS1TBXA2RKMT2AALDH1A1
SCHEMBL9531103 0.81 TBXAS1 (0.50) MAPTTBXAS1TBXA2RKMT2AALDH1A1
SCHEMBL9528365 0.79 TBXAS1 (0.58) MAPTTBXAS1TBXA2RKMT2AALDH1A1
SCHEMBL9528734 0.79 TBXA2R (0.72) CYP11B1CYP11B2TBXAS1TBXA2R
SCHEMBL9529178 0.77 ALDH1A1 (0.60) MAPTTBXAS1TBXA2RKMT2AALDH1A1
SCHEMBL9527554 0.77 ALDH1A1 (0.61) MAPTTBXAS1TBXA2RKMT2AALDH1A1
SCHEMBL9527952 0.77 ALDH1A1 (0.49) CYP11B1CYP11B2MAPTTBXAS1TBXA2R

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