SCHEMBL19003261

SCHEMBL19003261

O=C(/C=C/c1ccc(Br)s1)Nc1ccccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.59
MMP2 P08253 4/20 0.59
MMP9 P14780 4/20 0.59
EGFR P00533 4/20 0.59
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.47
XBP1 P17861 1/20 0.47
TLR9 Q9NR96 1/20 0.47
TRPA1 O75762 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
CASP3 P42574 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL19003262 0.82 EGFR (0.44) MMP1MMP2MMP9EGFRMEN1
SCHEMBL19003354 0.81 MMP1 (0.62) MMP1MMP2MMP9EGFRMEN1
SCHEMBL19003255 0.81 EGFR (0.47) MMP1MMP2MMP9EGFRMEN1
SCHEMBL27752039 0.78 RAB9A (0.71) MMP1MMP2MMP9EGFRMEN1
SCHEMBL19003464 0.77 EGFR (0.53) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL19003251 0.76 EGFR (0.68) MMP1MMP2MMP9EGFRMEN1
SCHEMBL19003363 0.75 RAB9A (0.52) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL19003356 0.75 TRPV1 (0.49) EGFRMEN1KMT2ANPC1RAB9A
N-(2-Chlorophenyl)Cinnamamide SCHEMBL3063601 0.75 MMP1 (1.00) MMP1MMP2MMP9EGFRMEN1
N-(2-Chlorophenyl)Cinnamamide SCHEMBL2683663 0.75 MMP1 (1.00) MMP1MMP2MMP9EGFRMEN1

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