SCHEMBL19003339

SCHEMBL19003339

N#C/C(=C\c1ccc(-c2ccccc2)s1)C(=O)Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.57
KMT2A Q03164 8/20 0.57
LMNA P02545 5/20 0.57
MAPK1 P28482 2/20 0.57
MEN1 O00255 6/20 0.56
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
RAB9A P51151 4/20 0.56
USP2 O75604 3/20 0.56
NPC1 O15118 3/20 0.56
PKM P14618 1/20 0.56
GAA P10253 1/20 0.51
KDM4E B2RXH2 2/20 0.48
TNNI3 P19429 1/20 0.48
TNNT2 P45379 1/20 0.48
TNNC1 P63316 1/20 0.48
ALOX12 P18054 1/20 0.44
APP P05067 1/20 0.44
AR P10275 1/20 0.44
PSMD14 O00487 1/20 0.43

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
SCHEMBL19003272 0.84 MAPT (0.56) MAPTKMT2ALMNAMAPK1MEN1
SCHEMBL11936937 0.83 MAPT (0.57) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL19003340 0.82 TP53 (0.52) MAPTKMT2ALMNAMAPK1MEN1
SCHEMBL19003267 0.80 MAPT (0.52) MAPTKMT2ALMNAMAPK1MEN1
SCHEMBL19003304 0.79 ABL1 (0.58) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL19003343 0.77 MAPT (0.46) MAPTKMT2ALMNAMAPK1MEN1
SCHEMBL19003344 0.76 KMT2A (0.49) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL11936936 0.74 MAPT (0.60) MAPTKMT2ALMNAMAPK1MEN1
SCHEMBL11936935 0.73 MAPT (0.58) MAPTKMT2ALMNAMAPK1MEN1
SCHEMBL15859149 0.73 MAPT (0.74) MAPTKMT2ALMNAMEN1ALDH1A1

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