SCHEMBL19003348

SCHEMBL19003348

Cc1ccc(NC(=O)/C=C/c2ccc(Br)s2)cc1S(=O)(=O)N(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
LMNA P02545 6/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KCNJ6 P48051 8/20 0.51
KCNJ3 P48549 8/20 0.51
KCNJ5 P48544 7/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
THRB P10828 1/20 0.46

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
SCHEMBL19003350 0.76 ALDH1A1 (0.47) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL19003264 0.76 NR4A1 (0.56) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL19003250 0.74 MAPT (0.51) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL19003252 0.73 RAB9A (0.53) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL19003464 0.73 EGFR (0.53) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL19003347 0.73 CYP1A2 (0.54) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL19003248 0.72 LMNA (0.56) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL18985272 0.72 MAOB (0.63) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL19003274 0.71 MMP1 (0.58) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL19003254 0.71 EGFR (0.53) ALDH1A1LMNANPC1RAB9ASMN1; SMN2

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