SCHEMBL19003312

SCHEMBL19003312

CCCOc1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 6/20 0.46
TP53 P04637 3/20 0.46
CNR1 P21554 2/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
EGFR P00533 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 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
SCHEMBL19003461 0.90 EGFR (0.54) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL18985281 0.81 NAMPT (0.49) MEN1KMT2AMAPTTP53EGFR
SCHEMBL18985197 0.78 MEN1 (0.55) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL18985289 0.77 MAOB (0.64) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL19003308 0.76 EGFR (0.54) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL19003273 0.75 MEN1 (0.55) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL18985266 0.75 HDAC8 (0.56) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL19003234 0.74 MAPT (0.69) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL18985528 0.73 NQO2 (0.56) MEN1KMT2ANPC1LMNARAB9A
SCHEMBL19003466 0.73 NQO2 (0.56) MEN1KMT2ANPC1LMNARAB9A

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