SCHEMBL9529221

SCHEMBL9529221

ON=C(c1ccncc1)c1ccccc1CC=Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.41
PTGER3 P43115 3/20 0.41
PTGER2 P43116 3/20 0.41
USP2 O75604 1/20 0.38
ALDH1A1 P00352 6/20 0.37
CYP3A4 P08684 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
HPGD P15428 2/20 0.37
CYP2C19 P33261 2/20 0.37
KDM1A O60341 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL9528032 0.86 CYP1A1 (0.45) PTGER4PTGER3PTGER2ALDH1A1CYP3A4
SCHEMBL9528883 0.81 NPC1 (0.43) PTGER4PTGER3PTGER2USP2ALDH1A1
SCHEMBL10407004 0.76 TSHR (0.43) ALDH1A1CYP3A4SMN1; SMN2CYP1A2CYP2D6
SCHEMBL9527584 0.71 LMNA (0.43) USP2ALDH1A1CYP3A4SMN1; SMN2CYP1A2
SCHEMBL7111348 0.70 PTGER4 (0.59) PTGER4PTGER3PTGER2ALDH1A1CYP3A4
SCHEMBL3248767 0.70 PTGER4 (0.59) PTGER4PTGER3PTGER2ALDH1A1CYP3A4
SCHEMBL3248765 0.70 PTGER4 (0.59) PTGER4PTGER3PTGER2ALDH1A1CYP3A4
SCHEMBL7111345 0.70 PTGER4 (0.59) PTGER4PTGER3PTGER2ALDH1A1CYP3A4
SCHEMBL29004700 0.70 PTGER4 (0.59) PTGER4PTGER3PTGER2ALDH1A1CYP3A4
SCHEMBL9529021 0.70 SMN1; SMN2 (0.37) ALDH1A1CYP3A4SMN1; SMN2CYP1A2CYP2D6

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