SCHEMBL4742346

SCHEMBL4742346

COc1ccccc1C(Br)=C(NC(=O)c1sc(C)nc1C)C(=O)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
KMT2A Q03164 7/20 0.43
MEN1 O00255 5/20 0.43
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 2/20 0.40
F10 P00742 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.39
AHR P35869 1/20 0.39
GFER P55789 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL4742344 1.00 MAPT (0.45) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL4692776 0.81 GAA (0.49) MAPTKMT2ARAB9ANPC1KDM4E
SCHEMBL4692778 0.81 GAA (0.49) MAPTKMT2ARAB9ANPC1KDM4E
SCHEMBL4744761 0.80 TSHR (0.53) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL4744757 0.80 TSHR (0.53) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL4744070 0.79 ALDH1A1 (0.43) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL4744066 0.79 ALDH1A1 (0.43) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL4688198 0.79 MAPT (0.55) MAPTKMT2AMEN1RAB9AKDM4E
SCHEMBL4688204 0.79 MAPT (0.55) MAPTKMT2AMEN1RAB9AKDM4E
SCHEMBL4747319 0.77 GAA (0.52) MAPTKMT2AMEN1RAB9ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581496-A4 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES INC (US) 2008-04-23 EP disclosed
EP-1581496-A2 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES, INC. (US) 2005-10-05 EP disclosed
WO-2004050613-A2 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES, INC. (US) 2004-06-17 WO disclosed