SCHEMBL9529178

SCHEMBL9529178

Cc1cccc(CCON=C(c2ccccc2)c2cccnc2)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 1/20 0.60
MAPT P10636 1/20 0.60
KMT2A Q03164 1/20 0.60
TBXAS1 P24557 12/20 0.56
TBXA2R P21731 11/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
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
SCHEMBL9529953 0.93 ALDH1A1 (0.60) ALDH1A1MEN1MAPTKMT2ATBXAS1
SCHEMBL9527554 0.88 ALDH1A1 (0.61) ALDH1A1MEN1MAPTKMT2ATBXAS1
SCHEMBL9528581 0.88 TBXAS1 (0.59) ALDH1A1MEN1MAPTKMT2ATBXAS1
SCHEMBL9528664 0.87 TBXAS1 (0.60) ALDH1A1MEN1MAPTKMT2ATBXAS1
SCHEMBL9528365 0.86 TBXAS1 (0.58) ALDH1A1MEN1MAPTKMT2ATBXAS1
SCHEMBL9532347 0.86 ABCB1 (0.53) ALDH1A1MEN1MAPTKMT2ATBXAS1
SCHEMBL9532300 0.86 TBXAS1 (0.57) ALDH1A1MEN1KMT2ATBXAS1TBXA2R
SCHEMBL9527829 0.82 MAPK1 (0.55) ALDH1A1MEN1MAPTKMT2ATBXAS1
SCHEMBL9528066 0.81 TBXAS1 (0.53) ALDH1A1MEN1MAPTKMT2ATBXAS1
SCHEMBL9531103 0.81 TBXAS1 (0.50) ALDH1A1MEN1MAPTKMT2ATBXAS1

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
US-4971985-A ANTIISCHEMIC AGENTS, CARDIOVASCULAR DISORDERS KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed