SCHEMBL9529774

SCHEMBL9529774

c1ccc(CCON=C(c2cccnc2)c2cccc3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TBXAS1 P24557 11/20 0.45
TBXA2R P21731 9/20 0.44
TAAR1 Q96RJ0 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 2/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL9532300 0.85 TBXAS1 (0.57) ALDH1A1TBXAS1TBXA2RTAAR1KDM4E
SCHEMBL9601603 0.84 TBXAS1 (0.64) ALDH1A1L3MBTL1TBXAS1TBXA2R
SCHEMBL9601617 0.84 TBXAS1 (0.64) ALDH1A1L3MBTL1TBXAS1TBXA2R
SCHEMBL9528581 0.84 TBXAS1 (0.59) ALDH1A1TBXAS1TBXA2RTAAR1KDM4E
SCHEMBL9528023 0.84 SMN1; SMN2 (0.48) ALDH1A1TBXAS1TBXA2RTAAR1KDM4E
SCHEMBL9531922 0.84 TBXAS1 (0.52) ALDH1A1TBXAS1TBXA2RTAAR1KDM4E
SCHEMBL9529952 0.81 TBXAS1 (0.52) ALDH1A1L3MBTL1TBXAS1TBXA2RKDM4E
SCHEMBL9531103 0.81 TBXAS1 (0.50) ALDH1A1TBXAS1TBXA2RTAAR1KDM4E
SCHEMBL9529953 0.81 ALDH1A1 (0.60) ALDH1A1L3MBTL1TBXAS1TBXA2RTAAR1
SCHEMBL9528066 0.81 TBXAS1 (0.53) ALDH1A1TBXAS1TBXA2RTAAR1KDM4E

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