SCHEMBL14684792

SCHEMBL14684792

COc1ccc(CN(C)C(=O)c2cc(-c3csc(C)n3)cn2C)cc1F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ RAB9A P51151 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ ECE1 P42892 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL16403954 0.89 HDAC1 (0.35) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL14318353 0.81 MEN1 (0.42) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL14684729 0.79 SMN1; SMN2 (0.50) KMT2ARAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL14315448 0.78 NR1H4 (0.43) RAB9AALDH1A1NPC1SMN1; SMN2HTT
SCHEMBL14224988 0.77 RAB9A (0.41) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL16404150 0.77 RAB9A (0.42) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL16403938 0.77 HPGD (0.44) RAB9AALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL14224958 0.75 ALDH1A1 (0.43) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL16403920 0.75 ALDH1A1 (0.38) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL16404071 0.75 RAB9A (0.40) KMT2AMEN1RAB9AALDH1A1NPC1

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 2 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
WO-2012172438-A9 COMPOSITIONS AND METHODS FOR MODULATING A KINASE DYNAMIX PHARMACEUTICALS LTD. (IL) 2013-02-07 — — WO disclosed
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