SCHEMBL9003317

SCHEMBL9003317

COc1ccc([B-](c2ccc(OC)cc2)(c2ccc(OC)cc2)C(C)(C)C)cc1.Cc1ccc([S+](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GAA P10253 1/20 0.42
PKM P14618 2/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 4/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL9003659 0.86 SMN1; SMN2 (0.45) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL9003355 0.84 MEN1 (0.46) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL11974558 0.70 MEN1 (0.77) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL1127783 0.69 CES1 (0.56) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL11133530 0.67 PKM (0.64) MEN1KMT2APKMALDH1A1SMN1; SMN2
SCHEMBL26083579 0.67 MEN1 (0.64) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL6072598 0.67 CA1 (0.53) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL1304544 0.66 MAPT (0.68) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL4689851 0.66 MAPK1 (0.67) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL492221 0.64 APP (0.70) MEN1KMT2AALDH1A1L3MBTL1MAPT

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