SCHEMBL19003301

SCHEMBL19003301

CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.65
MEN1 O00255 9/20 0.65
KMT2A Q03164 9/20 0.65
ALDH1A1 P00352 6/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
MAPK1 P28482 4/20 0.65
RAB9A P51151 4/20 0.65
NPC1 O15118 3/20 0.65
CASP3 P42574 2/20 0.65
SENP8 Q96LD8 2/20 0.65
SENP7 Q9BQF6 2/20 0.65
SENP6 Q9GZR1 2/20 0.65
KDM4E B2RXH2 3/20 0.54
HPGD P15428 2/20 0.54
GAA P10253 2/20 0.52
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
ADRB2 P07550 1/20 0.48
TSHR P16473 1/20 0.48
NAMPT P43490 1/20 0.47

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
SCHEMBL19003299 0.84 MAPT (0.52) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19003260 0.82 RAB9A (0.67) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19003302 0.82 HSD17B1 (0.48) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL18985528 0.82 NQO2 (0.56) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19003466 0.82 NQO2 (0.56) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19003461 0.81 EGFR (0.54) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL8751517 0.81 EGFR (0.68) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8751516 0.81 EGFR (0.68) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5310226 0.79 MAPT (1.00) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5310230 0.79 MAPT (1.00) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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