SCHEMBL19005463

SCHEMBL19005463

CC=C(C)Nc1cccc(NC(C)=CC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
POLB P06746 1/20 0.46
NR4A1 P22736 1/20 0.46
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 3/20 0.45
CYP1A2 P05177 1/20 0.45
GPR35 Q9HC97 1/20 0.45
MAPT P10636 4/20 0.45
TP53 P04637 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
LPAR1 Q92633 1/20 0.44
LPAR2 Q9HBW0 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 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
SCHEMBL9253909 0.83 MAPT (0.61) RAB9APOLBALDH1A1HSD17B10MAPT
SCHEMBL12440049 0.83 MAPT (0.61) RAB9APOLBALDH1A1HSD17B10MAPT
SCHEMBL12113186 0.83 MAPT (0.61) RAB9APOLBALDH1A1HSD17B10MAPT
SCHEMBL19005460 0.82 MEN1 (0.41) RAB9APOLBNR4A1ALDH1A1HSD17B10
SCHEMBL28825701 0.81 L3MBTL1 (0.59) RAB9AALDH1A1CYP1A2MAPTTP53
SCHEMBL19005458 0.81 MEN1 (0.36) RAB9APOLBNR4A1ALDH1A1HSD17B10
SCHEMBL14218672 0.77 SMN1; SMN2 (0.49) RAB9AALDH1A1HSD17B10MAPTNPC1
SCHEMBL13464621 0.74 GPR35 (0.59) RAB9APOLBNR4A1ALDH1A1HSD17B10
SCHEMBL8262920 0.74 THRB (0.48) RAB9AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL1901172 0.73 ALDH1A1 (0.76) RAB9APOLBNR4A1ALDH1A1HSD17B10

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
US-20170174537-A1 SELECTIVELY PERMEABLE GRAPHENE OXIDE MEMBRANE NITTO DENKO CORPORATION (JP) 2017-06-22 US disclosed