SCHEMBL19003276

SCHEMBL19003276

CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Br)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
LMNA P02545 5/20 0.53
KMT2A Q03164 8/20 0.47
MEN1 O00255 7/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
THRB P10828 1/20 0.45
PSMD14 O00487 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALPG P10696 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45

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 0.88 KMT2A (0.58) MAPTLMNAKMT2AMEN1MAPK1
SCHEMBL14476952 0.75 KMT2A (0.67) MAPTLMNAKMT2AMEN1RAB9A
SCHEMBL14749157 0.75 KMT2A (0.57) MAPTLMNAKMT2AMEN1MAPK1
SCHEMBL19003282 0.73 TP53 (0.50) MAPTLMNAKMT2AMEN1MAPK1
SCHEMBL8110954 0.72 GAA (0.75) LMNAKMT2AMEN1RAB9ANPC1
SCHEMBL2087572 0.72 MEN1 (0.75) MAPTKMT2AMEN1RAB9AGAA
SCHEMBL2087570 0.72 MEN1 (0.75) MAPTKMT2AMEN1RAB9AGAA
SCHEMBL19003341 0.71 KMT2A (0.53) MAPTLMNAKMT2AMEN1RAB9A
SCHEMBL31067939 0.69 KMT2A (0.55) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL24496664 0.69 GAA (0.69) LMNAKMT2AMEN1RAB9ANPC1

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