SCHEMBL19003280

SCHEMBL19003280

N#Cc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
TP53 P04637 3/20 0.52
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.45
THRB P10828 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DHODH Q02127 1/20 0.44
EPHX1 P07099 1/20 0.43
EPHX2 P34913 1/20 0.43
POLB P06746 4/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAMPT P43490 1/20 0.43
HTT P42858 2/20 0.41

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
SCHEMBL19003464 0.81 EGFR (0.53) MAPTTP53THRBSMN1; SMN2DHODH
SCHEMBL19003315 0.80 MAOB (0.50) MAPTTP53MAOBMAOATHRB
SCHEMBL19003456 0.77 MAPT (0.48) MAPTTP53MAOBMAOATHRB
SCHEMBL15708821 0.75 EPHX1 (0.68) MAPTTP53THRBEPHX1EPHX2
SCHEMBL15709316 0.75 EPHX1 (0.68) MAPTTP53THRBEPHX1EPHX2
SCHEMBL19003273 0.74 MEN1 (0.55) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL2955456 0.73 EGFR (0.70) MAPTTP53MAOBMAOAKDM4E
SCHEMBL2681646 0.73 EGFR (0.70) MAPTTP53MAOBMAOAKDM4E
SCHEMBL19003281 0.73 KDR (0.56) MAPTTP53SMN1; SMN2POLBKDM4E
SCHEMBL18985206 0.73 TP53 (0.67) MAPTTP53THRBSMN1; SMN2KDM4E

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