SCHEMBL28784232

SCHEMBL28784232

NCc1ccc(Nc2ncccc2[N+](=O)[O-])cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
NPC1 O15118 6/20 0.49
RAB9A P51151 5/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44

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
SCHEMBL15954532 0.81 MAPT (0.56) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL2779294 0.81 NPC1 (0.58) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL30113078 0.81 MAPT (0.58) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL29153613 0.81 MAPT (0.58) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL15954728 0.79 MAPT (0.55) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL15954408 0.79 MAPT (0.53) MAPTNPC1RAB9ANFKB1MAPK1
Hydrochloric Acid SCHEMBL7880082 0.78 MAPT (0.55) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL29241859 0.78 MAPT (0.68) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL7158528 0.78 MAPT (0.64) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL6799629 0.77 MAPT (0.56) MAPTNPC1RAB9ANFKB1MAPK1

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
CN-101778832-A Oxopyrazine derivative and weedicide KUMIAI CHEMICAL INDUSTRY CO 2010-07-14 CN disclosed