SCHEMBL9708747

SCHEMBL9708747

CNc1[c]cc(C(=O)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
SRD5A2 P31213 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
RAB9A P51151 7/20 0.44
HPGD P15428 5/20 0.44
NPC1 O15118 3/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ELANE P08246 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL9708901 0.80 HPGD (0.46) ALDH1A1SRD5A2L3MBTL1MAPK13MAPK12
SCHEMBL3147633 0.76 ALDH1A1 (0.58) ALDH1A1SRD5A2L3MBTL1MAPK13MAPK12
Benzophenone SCHEMBL28328302 0.74 ALDH1A1 (0.78) ALDH1A1SRD5A2L3MBTL1MAPK13MAPK12
Benzophenone SCHEMBL329684 0.74 ALDH1A1 (0.78) ALDH1A1SRD5A2L3MBTL1MAPK13MAPK12
Benzophenone SCHEMBL28325902 0.74 ALDH1A1 (0.78) ALDH1A1SRD5A2L3MBTL1MAPK13MAPK12
SCHEMBL11357069 0.74 RAB9A (0.62) ALDH1A1SRD5A2L3MBTL1MAPK13MAPK12
SCHEMBL8666599 0.74 MAPK13 (0.67) ALDH1A1SRD5A2L3MBTL1MAPK13MAPK12
SCHEMBL9709124 0.73 ALDH1A1 (0.54) ALDH1A1SRD5A2L3MBTL1MAPK13MAPK12
SCHEMBL9066312 0.72 ALDH1A1 (0.93) ALDH1A1SRD5A2L3MBTL1MAPK13MAPK12
SCHEMBL314267 0.72 ALDH1A1 (0.93) ALDH1A1SRD5A2L3MBTL1MAPK13MAPK12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0487423-A1 Benzoselenazolinone derivatives, their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-05-27 EP claimed