SCHEMBL19003340

SCHEMBL19003340

CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.52
APP P05067 1/20 0.52
KMT2A Q03164 6/20 0.51
MAPT P10636 5/20 0.51
MEN1 O00255 4/20 0.51
HPGD P15428 3/20 0.51
PSMD14 O00487 2/20 0.51
NQO2 P16083 1/20 0.50
CYP1A2 P05177 2/20 0.47
MAPK1 P28482 2/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DHODH Q02127 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 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
SCHEMBL19003344 0.84 KMT2A (0.49) TP53APPKMT2AMAPTMEN1
SCHEMBL19003339 0.82 MAPT (0.57) APPKMT2AMAPTMEN1PSMD14
SCHEMBL19003282 0.81 TP53 (0.50) TP53KMT2AMAPTMEN1HPGD
SCHEMBL19003343 0.81 MAPT (0.46) TP53APPKMT2AMAPTMEN1
SCHEMBL14730414 0.79 MAPT (0.74) APPKMT2AMAPTMEN1HPGD
SCHEMBL15859151 0.79 MAPT (0.74) APPKMT2AMAPTMEN1HPGD
SCHEMBL15859149 0.79 MAPT (0.74) APPKMT2AMAPTMEN1HPGD
SCHEMBL19003275 0.77 KMT2A (0.48) TP53KMT2AMAPTMEN1HPGD
SCHEMBL12372827 0.76 NQO2 (0.77) TP53KMT2AMAPTMEN1HPGD
SCHEMBL19003466 0.75 NQO2 (0.56) TP53KMT2AMAPTMEN1NQO2

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