SCHEMBL19003355

SCHEMBL19003355

O=C(/C=C/c1ccc(Br)s1)Nc1cccc(C(=O)NCC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
MITF O75030 1/20 0.48
HTT P42858 1/20 0.48
NAMPT P43490 1/20 0.46
EGFR P00533 1/20 0.45
SENP1 Q9P0U3 5/20 0.43
SENP2 Q9HC62 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 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
SCHEMBL18985272 0.78 MAOB (0.63) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL19003251 0.76 EGFR (0.68) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL19003252 0.72 RAB9A (0.53) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL19003258 0.72 TRPV1 (0.61) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL29365043 0.72 MAPT (0.55) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL19003253 0.72 MAOB (0.56) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL19003464 0.69 EGFR (0.53) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL28689610 0.69 L3MBTL1 (0.62) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL19003254 0.69 EGFR (0.53) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL19003283 0.69 RAB9A (0.52) MAPTMEN1KMT2ARAB9ASMN1; 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