SCHEMBL19003344

SCHEMBL19003344

CCCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.49
MEN1 O00255 5/20 0.49
MAPT P10636 9/20 0.48
THRB P10828 2/20 0.48
PKM P14618 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
APOBEC3A P31941 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
APP P05067 1/20 0.46
PSMD14 O00487 1/20 0.44
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FAAH O00519 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL19003268 0.84 MAPT (0.47) KMT2AMEN1MAPTTHRBPKM
SCHEMBL19003340 0.84 TP53 (0.52) KMT2AMEN1MAPTTHRBPKM
SCHEMBL19003269 0.81 KMT2A (0.49) KMT2AMEN1MAPTTHRBPKM
SCHEMBL14730331 0.79 MAPT (0.59) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL15859167 0.79 MAPT (0.59) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL19003461 0.79 EGFR (0.54) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL15859194 0.77 MAPT (0.56) MAPTALDH1A1KDM4ETP53POLB
SCHEMBL15859196 0.77 MAPT (0.56) MAPTALDH1A1KDM4ETP53POLB
SCHEMBL19003339 0.76 MAPT (0.57) KMT2AMEN1MAPTPKMALDH1A1
SCHEMBL19003343 0.74 MAPT (0.46) KMT2AMEN1MAPTTHRBPKM

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