SCHEMBL9529147

SCHEMBL9529147

Cc1ccccc1CCc1ccccc1C(=NO)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
FABP6 P51161 1/20 0.44
ATM Q13315 1/20 0.43
HTT P42858 1/20 0.41
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
TBXAS1 P24557 2/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36
PLOD2 O00469 1/20 0.36

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
SCHEMBL10406927 0.86 ALDH1A1 (0.44) ATMALDH1A1LMNATBXAS1MEN1
SCHEMBL9528361 0.85 ALDH1A1 (0.50) ATMHTTALDH1A1LMNATBXAS1
SCHEMBL9528579 0.85 ALDH1A1 (0.53) ATMHTTALDH1A1LMNAMEN1
SCHEMBL9532147 0.84 CYP1A2 (0.44) ALDH1A1LMNATP53MEN1MAPT
SCHEMBL9529168 0.83 ALDH1A1 (0.45) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL9529948 0.82 GAA (0.47) ATMHTTALDH1A1LMNATBXAS1
SCHEMBL10407865 0.82 ALDH1A1 (0.44) FABP6ATMHTTALDH1A1MEN1
SCHEMBL9532085 0.81 CYP11B1 (0.45) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9528143 0.81 CYP1A2 (0.42) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL9532132 0.81 KMT2A (0.51) ALDH1A1KMT2AGAA

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
US-4971985-A ANTIISCHEMIC AGENTS, CARDIOVASCULAR DISORDERS KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed