SCHEMBL9528147

SCHEMBL9528147

COc1cccc(OC)c1CCON=C(c1ccccc1)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.55
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TBXA2R P21731 10/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP1B1 Q16678 1/20 0.46
CAPN1 P07384 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45

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
SCHEMBL9532150 0.88 TBXAS1 (0.55) TBXAS1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9527829 0.83 MAPK1 (0.55) TBXAS1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9529775 0.81 TBXAS1 (0.50) TBXAS1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9532138 0.81 TBXAS1 (0.55) TBXAS1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9528581 0.81 TBXAS1 (0.59) TBXAS1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9532347 0.81 ABCB1 (0.53) TBXAS1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9528365 0.80 TBXAS1 (0.58) TBXAS1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9527952 0.80 ALDH1A1 (0.49) TBXAS1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9532300 0.79 TBXAS1 (0.57) TBXAS1ALDH1A1MEN1KMT2ATBXA2R
SCHEMBL9528781 0.79 MAPK1 (0.58) TBXAS1ALDH1A1MAPTMEN1KMT2A

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