SCHEMBL9769314

SCHEMBL9769314

Nc1ccn(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.66
ALDH1A1 P00352 3/20 0.47
MAPT P10636 9/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
LMNA P02545 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PTGS2 P35354 1/20 0.41
XDH P47989 1/20 0.40

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
SCHEMBL28558155 0.83 HTT (0.66) HTTALDH1A1MAPTNPC1RAB9A
SCHEMBL11465754 0.81 KEAP1 (0.50) HTTALDH1A1MAPTNPC1RAB9A
SCHEMBL9369399 0.81 HTT (0.68) HTTALDH1A1MAPTNPC1RAB9A
SCHEMBL15352874 0.79 HTT (0.66) HTTALDH1A1MAPTNPC1RAB9A
SCHEMBL18758370 0.79 HTT (0.66) HTTALDH1A1MAPTNPC1RAB9A
SCHEMBL19456984 0.79 HTT (1.00) HTTALDH1A1MAPTNPC1RAB9A
SCHEMBL27312016 0.78 HTT (0.59) HTTALDH1A1MAPTFAAHMGLL
SCHEMBL31274003 0.77 HTT (0.62) HTTMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19457078 0.77 HTT (0.67) HTTALDH1A1MAPTNPC1RAB9A
SCHEMBL28354521 0.76 HTT (0.65) HTTALDH1A1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116018138-A Substituted 1H-imidazo [1,2-b ] pyrazole-3-carboxamides as inhibitors of brunauer tyrosine kinase 河南知微生物医药有限公司 2023-04-25 CN disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-4994209-A Optically transparent solid solution of organic compound in polymer FUJI PHOTO FILM CO., LTD. (JP) 1991-02-19 US disclosed
US-4224203-A Vinyl chloride polymer stabilizer comprising a metal organophosphonate ARGUS CHEMICAL CORPORATION (US) 1980-09-23 US disclosed
EP-0011295-A1 Yellow monoazo dyes of the 2-hydroxydibenzofuran series; their preparation and use for dyeing and printing synthetic hydrophobic fibres Montedison S.p.A. (IT) 1980-05-28 EP disclosed