SCHEMBL9528536

SCHEMBL9528536

ON=C(c1cccnc1)c1ccccc1CCc1cccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 4/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2B6 P20813 1/20 0.35
ADRB2 P07550 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.34
MC4R P32245 1/20 0.34
MC5R P33032 1/20 0.34
MC3R P41968 1/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C19 P33261 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL9527237 0.89 KMT2A (0.37) KMT2AALDH1A1CYP3A4CYP2C9CYP2E1
SCHEMBL9528579 0.81 ALDH1A1 (0.53) KMT2AALDH1A1ADRB2MAPTLMNA
SCHEMBL9528361 0.81 ALDH1A1 (0.50) KMT2AALDH1A1CYP2A6MAPTLMNA
SCHEMBL9529147 0.80 NOTUM (0.44) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL9528051 0.80 ALDH1A1 (0.40) KMT2AALDH1A1CYP3A4CYP2C9CYP2A6
SCHEMBL9532349 0.79 MAPK1 (0.45) KMT2AALDH1A1CYP3A4MAPTLMNA
SCHEMBL9529948 0.78 GAA (0.47) KMT2AALDH1A1CYP3A4CYP2C9MAPT
SCHEMBL10406927 0.77 ALDH1A1 (0.44) KMT2AALDH1A1ADRB2MAPTLMNA
SCHEMBL9532147 0.77 CYP1A2 (0.44) KMT2AALDH1A1CYP3A4CYP2C9MAPT
SCHEMBL9527670 0.77 EPHX2 (0.48) KMT2AALDH1A1LMNAMEN1ALOX15

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
EP-0366006-A1 Pyridylketoxime ether compound and pharmaceutical composition containing it KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-05-02 EP disclosed