SCHEMBL18985267

SCHEMBL18985267

N#C/C(=C\c1ccc(Br)s1)C(=O)Nc1ccc(-c2nnco2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPK1 P28482 1/20 0.40
PSMD14 O00487 1/20 0.39
NOTUM Q6P988 1/20 0.39
LMNA P02545 4/20 0.39
POLB P06746 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
RECQL P46063 2/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
BLM P54132 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
APEX1 P27695 1/20 0.39

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
SCHEMBL19003343 0.85 MAPT (0.46) MAPTSMN1; SMN2KMT2AMEN1TDP1
SCHEMBL19003278 0.85 KMT2A (0.42) MAPTKMT2AMEN1MAPK1PSMD14
SCHEMBL19003282 0.78 TP53 (0.50) MAPTSMN1; SMN2RXFP1KMT2AMEN1
SCHEMBL19003249 0.78 EGFR (0.42) MAPTSMN1; SMN2KMT2AMEN1NOTUM
SCHEMBL19003268 0.71 MAPT (0.47) MAPTSMN1; SMN2KMT2AMEN1TDP1
SCHEMBL29236054 0.67 NOTUM (0.56) MAPTSMN1; SMN2KMT2AMEN1NOTUM
SCHEMBL2863123 0.67 LMNA (0.59) MAPTKMT2AMEN1TDP1MAPK1
SCHEMBL2863130 0.67 LMNA (0.59) MAPTKMT2AMEN1TDP1MAPK1
SCHEMBL30758474 0.66 KMT2A (0.51) MAPTSMN1; SMN2KMT2AMEN1TDP1
SCHEMBL19003277 0.65 KMT2A (0.58) MAPTSMN1; SMN2KMT2AMEN1TDP1

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 3 patents. 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 claimed
WO-2017102014-A1 PROPENAMIDE THIOPHENE DERIVATIVES AS FLAVIVIRUS INHIBITORS AND THEIR USE UNIVERSITE D'AIX-MARSEILLE (FR) 2017-06-22 WO disclosed
WO-2017102014-A1 PROPENAMIDE THIOPHENE DERIVATIVES AS FLAVIVIRUS INHIBITORS AND THEIR USE UNIVERSITE D'AIX-MARSEILLE (FR) 2017-06-22 WO disclosed