SCHEMBL9206366

SCHEMBL9206366

COC(=O)Oc1cc2c(cnn2-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 4/20 0.39
GABRP O00591 3/20 0.39
GABRD O14764 3/20 0.39
GABRA1 P14867 3/20 0.39
GABRB1 P18505 3/20 0.39
GABRG2 P18507 3/20 0.39
GABRA5 P31644 3/20 0.39
GABRA3 P34903 3/20 0.39
GABRA2 P47869 3/20 0.39
GABRB2 P47870 3/20 0.39
GABRA4 P48169 3/20 0.39
GABRE P78334 3/20 0.39
GABRA6 Q16445 3/20 0.39
GABRG1 Q8N1C3 3/20 0.39
GABRG3 Q99928 3/20 0.39
GABRQ Q9UN88 3/20 0.39
TDP1 Q9NUW8 3/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
FGFR4 P22455 1/20 0.36

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
SCHEMBL8432858 0.89 TDP1 (0.39) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9213840 0.89 MAPK1 (0.42) TDP1MAPTMAPK1FGFR4ALDH1A1
SCHEMBL8435773 0.85 GABRP (0.43) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9211427 0.81 CYP3A4 (0.42) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9211225 0.80 FGFR4 (0.36) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9212439 0.79 GABRB3 (0.46) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9207794 0.79 MAPK1 (0.44) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9436479 0.77 TDP1 (0.36) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL9252563 0.76 GABRB3 (0.42) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL10549778 0.74 MAPK1 (0.41) GABRB3GABRPGABRDGABRA1GABRB1

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