SCHEMBL19003341

SCHEMBL19003341

COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.53
MAPT P10636 8/20 0.47
MEN1 O00255 6/20 0.47
LMNA P02545 3/20 0.47
CSNK2A1 P68400 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
PSMD14 O00487 1/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 1/20 0.45
APP P05067 1/20 0.45
THRB P10828 3/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PPARG P37231 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL19003277 0.82 KMT2A (0.58) KMT2AMAPTMEN1LMNACSNK2A1
SCHEMBL19003340 0.72 TP53 (0.52) KMT2AMAPTMEN1LMNAPSMD14
SCHEMBL19003276 0.71 MAPT (0.55) KMT2AMAPTMEN1LMNAPSMD14
SCHEMBL14730340 0.70 MAPT (0.62) KMT2AMAPTMEN1LMNAKDM4E
SCHEMBL15859155 0.70 MAPT (0.62) KMT2AMAPTMEN1LMNAKDM4E
SCHEMBL15859153 0.70 MAPT (0.62) KMT2AMAPTMEN1LMNAKDM4E
SCHEMBL19003305 0.70 MMP1 (0.63) KMT2AMAPTMEN1LMNAHPGD
SCHEMBL11936976 0.70 MAPT (0.79) KMT2AMAPTHPGDAPPALDH1A1
SCHEMBL15859149 0.69 MAPT (0.74) KMT2AMAPTMEN1LMNAPSMD14
SCHEMBL15859151 0.69 MAPT (0.74) KMT2AMAPTMEN1LMNAPSMD14

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