SCHEMBL19003282

SCHEMBL19003282

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 7/20 0.49
MAPT P10636 6/20 0.49
MEN1 O00255 5/20 0.49
PSMD14 O00487 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
RXFP1 Q9HBX9 1/20 0.48
LMNA P02545 3/20 0.46
POLB P06746 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 2/20 0.46
BLM P54132 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL19003268 0.82 MAPT (0.47) TP53KDM4EKMT2AMAPTMEN1
SCHEMBL19003275 0.81 KMT2A (0.48) TP53KDM4EKMT2AMAPTMEN1
SCHEMBL19003340 0.81 TP53 (0.52) TP53KDM4EKMT2AMAPTMEN1
SCHEMBL18985267 0.78 MAPT (0.41) TP53KMT2AMAPTMEN1PSMD14
SCHEMBL30758474 0.76 KMT2A (0.51) KDM4EKMT2AMAPTMEN1PSMD14
SCHEMBL19003277 0.75 KMT2A (0.58) KDM4EKMT2AMAPTMEN1PSMD14
SCHEMBL2863130 0.75 LMNA (0.59) KDM4EKMT2AMAPTMEN1LMNA
SCHEMBL2863123 0.75 LMNA (0.59) KDM4EKMT2AMAPTMEN1LMNA
SCHEMBL19003276 0.73 MAPT (0.55) KDM4EKMT2AMAPTMEN1PSMD14
SCHEMBL19003250 0.72 MAPT (0.51) TP53KDM4EKMT2AMAPTMEN1

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