SCHEMBL9527237

SCHEMBL9527237

ON=C(c1cccnc1)c1ccccc1Cc1cccs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
CYP2C9 P11712 4/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2B6 P20813 1/20 0.36
LMNA P02545 2/20 0.36
ADRA1D P25100 2/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2D6 P10635 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP2C19 P33261 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL9528536 0.89 KMT2A (0.36) KMT2ACYP2C9CYP3A4CYP2E1CYP2A6
SCHEMBL9528114 0.87 CYP2C9 (0.39) KMT2ACYP2C9CYP3A4LMNAADRA1D
SCHEMBL9532085 0.81 CYP11B1 (0.45) KMT2ACYP2C9LMNAMEN1CYP1A2
SCHEMBL10406923 0.78 CYP1A2 (0.40) KMT2ACYP2A6LMNACYP1A2CYP2D6
SCHEMBL9527768 0.78 CYP2C9 (0.40) KMT2ACYP2C9LMNAMEN1CYP1A2
SCHEMBL9529668 0.77 KDM4E (0.47) KMT2ACYP2C9CYP3A4LMNAADRA1D
SCHEMBL9527691 0.77 TSHR (0.45) KMT2ACYP2C9CYP3A4LMNAMEN1
SCHEMBL9528361 0.74 ALDH1A1 (0.50) KMT2ACYP2A6LMNAMEN1CYP1A2
SCHEMBL9528579 0.74 ALDH1A1 (0.53) KMT2ALMNAMEN1ALDH1A1MAPK1
SCHEMBL9528051 0.74 ALDH1A1 (0.40) KMT2ACYP2C9CYP3A4CYP2A6CYP2B6

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