SCHEMBL16403944

SCHEMBL16403944

COc1ccc(Cl)c(NC(=O)c2cc(-c3csc(C)n3)cn2C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.50
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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 0.85 NPC1 (0.66) NPC1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL16404120 0.83 NPC1 (0.63) NPC1MEN1KMT2ALMNAHTT
SCHEMBL16403952 0.83 NPC1 (0.57) NPC1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL16403943 0.81 RAB9A (0.47) NPC1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL16404114 0.81 NPC1 (0.52) NPC1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL14317616 0.79 NPC1 (0.52) NPC1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL14318297 0.78 LMNA (0.51) NPC1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL16403951 0.78 RAB9A (0.47) NPC1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL16403946 0.78 BLM (0.50) NPC1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL14315440 0.78 BLM (0.51) NPC1MEN1KMT2ARAB9AL3MBTL1

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
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 — — US disclosed
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