SCHEMBL9207253

SCHEMBL9207253

O=[N+]([O-])c1ccc2c(cnn2-c2ccc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.44
PHOSPHO1 Q8TCT1 1/20 0.43
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
NR3C1 P04150 3/20 0.40
SLC6A9 P48067 1/20 0.39
GAA P10253 1/20 0.39
FGFR4 P22455 1/20 0.39
KIF11 P52732 1/20 0.39
PKM P14618 1/20 0.38
KDR P35968 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CXCR5 P32302 1/20 0.38
APLNR P35414 1/20 0.38
CCR6 P51684 1/20 0.38
PGR P06401 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
TLR2 O60603 1/20 0.37

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
SCHEMBL9210053 0.83 SLC6A9 (0.47) GLSCYP11B1CYP11B2SLC6A9GAA
SCHEMBL8433358 0.78 GLS (0.46) GLSCYP11B1CYP11B2GAAKDR
SCHEMBL9206083 0.77 MAPT (0.40) GLSPHOSPHO1CYP11B2SLC6A9FGFR4
SCHEMBL10347988 0.76 PHOSPHO1 (0.43) PHOSPHO1SLC6A9GAAFGFR4KIF11
SCHEMBL6504211 0.75 GAA (0.52) GAAFGFR4PKMMAPT
SCHEMBL8522013 0.74 GLS (0.50) GLSPKMKDRMAPT
SCHEMBL9207012 0.74 SLC6A9 (0.47) SLC6A9GAAFGFR4MAPT
SCHEMBL28134313 0.73 ALDH1A1 (0.40) GLSNR3C1SLC6A9PKMMAPT
SCHEMBL10770318 0.73 MEN1 (0.47) GAAFGFR4PKMKDRMAPT
SCHEMBL10769007 0.73 PKM (0.46) PHOSPHO1GAAFGFR4PKMKDR

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-0544218-B1 Arylindazole derivatives and their use SUMITOMO CHEMICAL CO (JP) 1995-07-26 EP disclosed
US-5266556-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-30 US disclosed
EP-0544218-A1 Arylindazole derivatives and their use SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1993-06-02 EP disclosed