SCHEMBL9527240

SCHEMBL9527240

c1ccc(C(=NOCc2cccs2)c2cccnc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.49
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 1/20 0.44
TBXA2R P21731 10/20 0.43
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL9528119 0.89 ALDH1A1 (0.56) TBXAS1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9528541 0.88 TBXAS1 (0.53) TBXAS1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8710463 0.81 KMT2A (0.56) TBXAS1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9532043 0.80 KDM4E (0.46) TBXAS1ALDH1A1HPGDKMT2AMEN1
SCHEMBL10406925 0.76 TBXAS1 (0.51) TBXAS1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9530136 0.75 ALDH1A1 (0.62) TBXAS1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9527696 0.75 TBXAS1 (0.52) TBXAS1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9529189 0.74 TBXAS1 (0.47) TBXAS1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9529674 0.73 TBXAS1 (0.48) TBXAS1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9528581 0.73 TBXAS1 (0.59) TBXAS1ALDH1A1SMN1; SMN2KMT2AMEN1

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