SCHEMBL19003359

SCHEMBL19003359

CS(=O)(=O)c1cccc(NC(=O)/C=C/c2cnc(-c3ccccc3)s2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 12/20 0.54
HDAC4 P56524 12/20 0.54
HDAC1 Q13547 12/20 0.54
HDAC7 Q8WUI4 12/20 0.54
HDAC2 Q92769 12/20 0.54
HDAC10 Q969S8 12/20 0.54
HDAC11 Q96DB2 12/20 0.54
HDAC8 Q9BY41 12/20 0.54
HDAC6 Q9UBN7 12/20 0.54
HDAC9 Q9UKV0 12/20 0.54
HDAC5 Q9UQL6 12/20 0.54
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NAMPT P43490 2/20 0.46
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
PRKDC P78527 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL18985262 0.84 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2NAMPTMEN1
SCHEMBL18985260 0.84 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2NAMPTMEN1
SCHEMBL19003232 0.77 RAB9A (0.53) HDAC6NPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL19003252 0.77 RAB9A (0.53) NPC1RAB9ASMN1; SMN2NAMPTMEN1
SCHEMBL18985266 0.74 HDAC8 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19003470 0.73 RAB9A (0.65) NPC1RAB9ASMN1; SMN2MEN1MAPT
SCHEMBL19003361 0.73 NAMPT (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18985199 0.73 NAMPT (0.48) NPC1RAB9ASMN1; SMN2NAMPTMEN1
SCHEMBL4340399 0.73 HDAC1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4340391 0.73 HDAC1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2017102014-A1 PROPENAMIDE THIOPHENE DERIVATIVES AS FLAVIVIRUS INHIBITORS AND THEIR USE UNIVERSITE D'AIX-MARSEILLE (FR) 2017-06-22 WO disclosed