SCHEMBL16263801

SCHEMBL16263801

NC(=O)c1cc([S+]([O-])N2CCOCC2)sc1NC(=O)c1cc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ TMIGD3 P0DMS9 3/20 0.39
▸ ADORA1 P30542 3/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ OPRM1 P35372 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
SCHEMBL19494912 0.83 CFTR (0.40) MEN1NPC1MAPTHTTRAB9A
SCHEMBL16337904 0.79 MEN1 (0.51) L3MBTL1HDAC1HDAC3HDAC4HDAC7
SCHEMBL16263912 0.77 BCL3 (0.42) HDAC6MEN1NPC1MAPTHTT
SCHEMBL16263844 0.76 KDM1A (0.36) MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL16263849 0.76 CNR2 (0.42) MEN1NPC1MAPTHTTRAB9A
SCHEMBL19494633 0.76 ALDH1A1 (0.33) MEN1NPC1POLBMAPTRAB9A
SCHEMBL16263934 0.74 MAPT (0.33) HDAC6MEN1MAPTHTTKMT2A
SCHEMBL16261720 0.72 RAB9A (0.47) L3MBTL1MEN1NPC1GAAMAPT
SCHEMBL16338289 0.71 CFTR (0.59) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL16246344 0.70 CFTR (0.60) HDAC1HDAC3HDAC4HDAC7HDAC2

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
WO-2014180562-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GALAPAGOS NV (BE) 2014-11-13 — — WO disclosed
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