SCHEMBL3943643

SCHEMBL3943643

CN(C)c1ccc(-c2nnc(-c3ccc(N(C)C)cc3)o2)cc1.[CH]=Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.58
NPC1 O15118 14/20 0.57
RAB9A P51151 13/20 0.57
RXFP1 Q9HBX9 2/20 0.57
HPGD P15428 7/20 0.55
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 4/20 0.55
MAPT P10636 3/20 0.55
HSD17B10 Q99714 2/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 8/20 0.54
RELA Q04206 3/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
MEN1 O00255 2/20 0.54
HCRTR1 O43613 1/20 0.54
GAA P10253 1/20 0.54
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
CA1 P00915 1/20 0.51

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
SCHEMBL6689179 0.85 APP (0.71) APPNPC1RAB9ARXFP1HPGD
Styrene SCHEMBL3943655 0.85 APP (0.58) APPNPC1RAB9ARXFP1HPGD
SCHEMBL122784 0.82 APP (0.81) APPNPC1RAB9ARXFP1HPGD
SCHEMBL8889974 0.80 APP (0.79) APPNPC1RAB9ARXFP1HPGD
SCHEMBL556200 0.76 NPC1 (0.67) APPNPC1RAB9ARXFP1HPGD
SCHEMBL12887959 0.75 NPC1 (0.55) APPNPC1RAB9ARXFP1HPGD
SCHEMBL12641772 0.75 APP (0.71) APPNPC1RAB9ARXFP1HPGD
SCHEMBL12573308 0.74 APP (1.00) APPNPC1RAB9ARXFP1HPGD
SCHEMBL4871397 0.74 KDM4E (0.69) APPNPC1RAB9ARXFP1HPGD
SCHEMBL9885482 0.74 APP (0.69) APPNPC1RAB9ARXFP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050791-B1 POLYCARBONATE RESIN COMPOSITION AND ELECTROPHOTOGRAPHIC PHOTOSENSITIVE BODY USING THE SAME MITSUBISHI GAS CHEMICAL CO (JP) 2013-10-23 EP disclosed
EP-2050791-A1 POLYCARBONATE RESIN COMPOSITION AND ELECTROPHOTOGRAPHIC PHOTOSENSITIVE BODY USING THE SAME Mitsubishi Gas Chemical Company, Inc. (JP) 2009-04-22 EP disclosed