SCHEMBL9530012

SCHEMBL9530012

ON=C(c1ccccn1)c1ccccc1Cc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
OPRK1 P41145 2/20 0.42
MITF O75030 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
TLR7 Q9NYK1 1/20 0.39
RAB9A P51151 4/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL9532029 0.89 KDM4E (0.42) KDM4ESMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL9532053 0.87 NPC1 (0.43) KDM4ESMN1; SMN2LMNAOPRK1CYP1A2
SCHEMBL9529562 0.83 KDM4E (0.42) KDM4EGAASMN1; SMN2LMNAHTT
SCHEMBL9528779 0.80 KDM4E (0.44) KDM4EGAASMN1; SMN2LMNAMITF
SCHEMBL9528175 0.80 SMN1; SMN2 (0.40) GAASMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL9532748 0.78 POLB (0.46) KDM4ESMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL23366565 0.77 KDM4E (0.49) KDM4EGAASMN1; SMN2LMNAHTT
SCHEMBL9527691 0.77 TSHR (0.45) KDM4EGAASMN1; SMN2LMNACYP1A2
SCHEMBL9529276 0.76 ALDH1A1 (0.46) KDM4ELMNACYP1A2CYP3A4CYP2C9
SCHEMBL9527768 0.75 CYP2C9 (0.40) KDM4ESMN1; SMN2LMNACYP1A2CYP2C9

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