SCHEMBL10069472

SCHEMBL10069472

COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.83
▸ MEN1 O00255 8/20 0.83
▸ NPC1 O15118 3/20 0.78
▸ RAB9A P51151 3/20 0.78
▸ SMN1; SMN2 Q16637 3/20 0.76
▸ L3MBTL1 Q9Y468 1/20 0.76
▸ MAPT P10636 5/20 0.73
▸ POLB P06746 3/20 0.73
▸ ALDH1A1 P00352 4/20 0.72
▸ HTT P42858 2/20 0.72
▸ GAA P10253 1/20 0.72
▸ KDM4E B2RXH2 1/20 0.72
▸ HPGD P15428 1/20 0.72
▸ AHR P35869 1/20 0.72
▸ KCNK9 Q9NPC2 3/20 0.71
▸ KCNK3 O14649 2/20 0.71
▸ TSHR P16473 1/20 0.69
▸ TP53 P04637 1/20 0.67
▸ PKM P14618 1/20 0.67
▸ THRB P10828 1/20 0.65

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
SCHEMBL6632076 0.87 NPC1 (1.00) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6633618 0.85 KMT2A (0.89) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2534117 0.84 KMT2A (1.00) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL23011774 0.83 ALDH1A1 (0.84) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL14006936 0.81 NPC1 (0.70) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL10069470 0.81 KCNK9 (0.81) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12228183 0.81 NPC1 (0.83) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4256368 0.81 NPC1 (1.00) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL17712432 0.80 KCNK3 (0.82) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL1336753 0.79 ALDH1A1 (0.75) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 — — US disclosed
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 — — US disclosed
WO-2012040636-A2 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS THE BROAD INSTITUTE, INC. (US) 2012-03-29 — — WO disclosed
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