SCHEMBL18985221

SCHEMBL18985221

O=C(/C=C/c1ccc(-c2ccccc2)s1)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.57
KMT2A Q03164 9/20 0.57
MAPT P10636 7/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
RAB9A P51151 3/20 0.57
LMNA P02545 3/20 0.57
TP53 P04637 1/20 0.57
HTT P42858 4/20 0.56
NPC1 O15118 2/20 0.56
MITF O75030 1/20 0.56
ALDH1A1 P00352 4/20 0.55
HSP90AA1 P07900 2/20 0.55
HPGD P15428 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
MAPK1 P28482 1/20 0.55
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55
NLRP1 Q9C000 1/20 0.55
TRPV1 Q8NER1 6/20 0.54
PKM P14618 1/20 0.51

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
SCHEMBL18985254 1.00 MEN1 (0.57) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL19003258 0.84 TRPV1 (0.61) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL19003459 0.84 CXCR1 (0.51) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL18985289 0.81 MAOB (0.64) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL23547197 0.81 TRPV1 (0.73) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL6754380 0.81 TRPV1 (0.73) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL6754378 0.81 TRPV1 (0.73) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL19003468 0.81 ALDH1A1 (0.62) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL19003314 0.79 MAOB (0.53) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL19003456 0.78 MAPT (0.48) MEN1KMT2AMAPTSMN1; SMN2RAB9A

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