SCHEMBL9003355

SCHEMBL9003355

CCCC[B-](c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.Cc1ccc([S+](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
PKM P14618 2/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL9003317 0.84 MEN1 (0.46) MEN1KMT2APKMMAPTMAPK1
SCHEMBL9003338 0.80 NPC1 (0.43) MEN1KMT2ANPC1RAB9A
SCHEMBL8757349 0.71 NPC1 (0.45) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL4139001 0.69 CES1 (0.38) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL9003659 0.69 SMN1; SMN2 (0.45) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL11974558 0.68 MEN1 (0.77) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL307630 0.68 CA1 (0.44) MAPK1
SCHEMBL1127783 0.67 CES1 (0.56) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL9003818 0.67 ALDH1A1 (0.38) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL9003605 0.67 L3MBTL1 (0.40) MEN1KMT2APKMNPC1MAPT

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
US-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed