SCHEMBL14306187

SCHEMBL14306187

COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(-c4csc(C)n4)cn3C)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.54
▸ KMT2A Q03164 6/20 0.54
▸ GAA P10253 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ HTT P42858 4/20 0.47
▸ PKM P14618 4/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ MAPT P10636 4/20 0.47
▸ HPGD P15428 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LMNA P02545 4/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ USP2 O75604 1/20 0.46

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
SCHEMBL14325852 0.77 NPC1 (0.66) MEN1KMT2ASMN1; SMN2HTTPKM
SCHEMBL16403927 0.76 ALDH1A1 (0.49) MEN1KMT2ACYP3A4CYP2C19SMN1; SMN2
SCHEMBL14684728 0.74 POLB (0.64) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL14318297 0.74 LMNA (0.51) MEN1KMT2ACYP3A4CYP2C19CYP1A2
SCHEMBL14318296 0.74 HPGD (0.45) CYP3A4CYP2C19PKMALDH1A1HPGD
SCHEMBL14056619 0.73 ALDH1A1 (0.60) GAAHTTALDH1A1KDM4EMAPT
SCHEMBL16403944 0.73 NPC1 (0.50) MEN1KMT2AGAASMN1; SMN2HTT
SCHEMBL16403957 0.72 HSD17B10 (0.52) MEN1KMT2AL3MBTL1RAB9AHSD17B10
SCHEMBL14056188 0.71 ALDH1A1 (0.61) GAASMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL14684758 0.71 LMNA (0.53) MEN1KMT2AGAASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 — — US disclosed
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 — — US disclosed
WO-2012172438-A9 COMPOSITIONS AND METHODS FOR MODULATING A KINASE DYNAMIX PHARMACEUTICALS LTD. (IL) 2013-02-07 — — WO disclosed
WO-2012172438-A2 COMPOSITIONS AND METHODS FOR MODULATING A KINASE DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-12-20 — — WO disclosed
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