SCHEMBL9528541

SCHEMBL9528541

c1ccc(C(=NOCCc2cccs2)c2cccnc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 12/20 0.53
TBXA2R P21731 12/20 0.47
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL9527240 0.88 TBXAS1 (0.49) TBXAS1TBXA2RALDH1A1CYP1A2CYP3A4
SCHEMBL9529189 0.82 TBXAS1 (0.47) TBXAS1TBXA2RALDH1A1SMN1; SMN2MEN1
SCHEMBL9528581 0.82 TBXAS1 (0.59) TBXAS1TBXA2RALDH1A1SMN1; SMN2MEN1
SCHEMBL9528365 0.81 TBXAS1 (0.58) TBXAS1TBXA2RALDH1A1MEN1MAPT
SCHEMBL9532300 0.80 TBXAS1 (0.57) TBXAS1TBXA2RALDH1A1SMN1; SMN2MEN1
SCHEMBL9528060 0.80 TBXAS1 (0.52) TBXAS1TBXA2RALDH1A1MEN1MAPT
SCHEMBL9532356 0.78 TBXAS1 (0.53) TBXAS1TBXA2RALDH1A1CYP1A2CYP3A4
SCHEMBL9527676 0.77 TBXAS1 (0.63) TBXAS1TBXA2RALDH1A1KMT2A
SCHEMBL9529664 0.77 TBXAS1 (0.63) TBXAS1TBXA2RALDH1A1KMT2A
SCHEMBL9528119 0.77 ALDH1A1 (0.56) TBXAS1TBXA2RALDH1A1CYP1A2CYP3A4

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 2 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
EP-0366006-A1 Pyridylketoxime ether compound and pharmaceutical composition containing it KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-05-02 EP disclosed