SCHEMBL19003232

SCHEMBL19003232

CS(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(Cl)s2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
MAPT P10636 7/20 0.48
LMNA P02545 4/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.47
MITF O75030 1/20 0.47
NAMPT P43490 1/20 0.45
HIF1A Q16665 1/20 0.44
MMP1 P03956 2/20 0.43
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
EGFR P00533 1/20 0.43
PKM P14618 2/20 0.42

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
SCHEMBL19003240 0.88 MAPT (0.57) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL19003252 0.86 RAB9A (0.53) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL19003241 0.85 TGM2 (0.52) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL18985262 0.84 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL18985260 0.84 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL18985196 0.83 RAB9A (0.54) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL19003263 0.78 SMN1; SMN2 (0.41) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL19003359 0.77 HDAC3 (0.54) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL30595307 0.73 TGM2 (0.67) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL19003470 0.73 RAB9A (0.65) RAB9ASMN1; SMN2NPC1MEN1KMT2A

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