SCHEMBL19003343

SCHEMBL19003343

N#C/C(=C\c1ccc(-c2ccccc2)s1)C(=O)Nc1ccc(-c2nnco2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
APP P05067 1/20 0.45
TAS2R14 Q9NYV8 2/20 0.43
KMT2A Q03164 7/20 0.41
MEN1 O00255 5/20 0.41
LMNA P02545 3/20 0.41
PSMD14 O00487 2/20 0.41
KDM4E B2RXH2 3/20 0.40
NOTUM Q6P988 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
RGS12 O14924 1/20 0.39
GMNN O75496 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 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
SCHEMBL18985267 0.85 MAPT (0.41) MAPTTAS2R14KMT2AMEN1LMNA
SCHEMBL19003278 0.82 KMT2A (0.42) MAPTKMT2AMEN1LMNAPSMD14
SCHEMBL19003340 0.81 TP53 (0.52) MAPTAPPKMT2AMEN1LMNA
SCHEMBL19003300 0.79 HSD17B1 (0.45) MAPTKMT2AMEN1LMNAKDM4E
SCHEMBL19003339 0.77 MAPT (0.57) MAPTAPPKMT2AMEN1LMNA
SCHEMBL19003344 0.74 KMT2A (0.49) MAPTAPPKMT2AMEN1LMNA
SCHEMBL19003306 0.72 TRPV1 (0.61) MAPTKMT2AMEN1KDM4ENOTUM
SCHEMBL15859149 0.72 MAPT (0.74) MAPTAPPKMT2AMEN1LMNA
SCHEMBL15859151 0.72 MAPT (0.74) MAPTAPPKMT2AMEN1LMNA
SCHEMBL14730414 0.72 MAPT (0.74) MAPTAPPKMT2AMEN1LMNA

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