SCHEMBL2365111

SCHEMBL2365111

Cc1cc(C)cc(-c2cc([N+](=O)[O-])ccc2Oc2ccc([N+](=O)[O-])cc2-c2cc(C)cc(C)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.46
TDP1 Q9NUW8 4/20 0.45
ALDH1A1 P00352 4/20 0.44
ACHE P22303 2/20 0.44
HSD17B10 Q99714 1/20 0.44
PTPRC P08575 1/20 0.43
S100A4 P26447 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.42
HSPB1 P04792 3/20 0.42
PDE7A Q13946 1/20 0.42
CYP3A4 P08684 3/20 0.42
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL11096077 0.86 TSHR (0.56) TSHRPTGDR2TDP1ALDH1A1ACHE
SCHEMBL10945758 0.81 MAPT (0.57) PTGDR2TDP1ALDH1A1PTPRCS100A4
SCHEMBL9812697 0.80 PTGDR2 (0.67) PTGDR2TDP1ALDH1A1ACHEPTPRC
SCHEMBL9058591 0.76 TSHR (0.47) TSHRTDP1ALDH1A1ACHEHSD17B10
SCHEMBL9058593 0.76 ERN1 (0.49) TSHRTDP1ALDH1A1ACHEHSD17B10
SCHEMBL9185260 0.75 ALDH1A1 (0.64) TSHRTDP1ALDH1A1ACHEHSD17B10
SCHEMBL630056 0.75 ALDH1A1 (0.54) TSHRTDP1ALDH1A1MEN1MAPT
SCHEMBL29548613 0.75 HSPB1 (0.60) ALDH1A1MEN1MAPTKMT2AHTT
SCHEMBL28718983 0.75 HSPB1 (0.60) ALDH1A1MEN1MAPTKMT2AHTT
SCHEMBL11413690 0.74 PTGDR2 (0.46) PTGDR2PTPRCS100A4MAPTHSPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358768-A1 CROSSLINKED POLYVINYLPYRROLIDONE COMPOSITIONS ISP Investments Inc. (US) 2011-08-24 EP disclosed
WO-2010065603-A1 CROSSLINKED POLYVINYLPYRROLIDONE COMPOSITIONS ISP INVESTMENTS INC. (US) 2010-06-10 WO disclosed
US-4687858-A HERBICIDES SANKYO COMPANY LIMITED (JP) 1987-08-18 US disclosed
US-4508910-A Herbicidal 4-benzoyl-5-hydroxy-pyrazales SANKYO COMPANY LTD. (JP) 1985-04-02 US disclosed
US-4414392-A Herbicidal compositions and pyrazole derivatives SANKYO COMPANY, LTD. (JP) 1983-11-08 US disclosed
US-4301293-A Herbicidal compositions and pyrazole derivatives SANKYO COMPANY LTD. (JP) 1981-11-17 US disclosed
US-4261729-A Herbicidal compositions and pyrazole derivatives SANKYO COMPANY LIMITED (JP) 1981-04-14 US disclosed
US-4146726-A HERBICIDES SANKYO COMPANY LIMITED (JP) 1979-03-27 US disclosed
US-4063925-A Herbicidal compositions SANKYO COMPANY LIMITED (JA) 1977-12-20 US disclosed
US-4060402-A HERBICIDE SANKYO COMPANY LIMITED (JA) 1977-11-29 US disclosed
US-4052395-A AGRICULTURAL FUNGICIDAL COMPOSITIONS CONTAINING 6-(SUBSTITUTED PHENYL)-PYRIDAZINONES AND SAID PYRIDAZINONES SANKYO COMPANY LIMITED (JA) 1977-10-04 US disclosed
US-4044018-A Isoxazolone derivatives, their preparation and their use as plant growth regulators SANKYO COMPANY LIMITED (JA) 1977-08-23 US disclosed
US-4036631-A Pyrazolone derivatives and their use as herbicides SANKYO COMPANY LIMITED (JA) 1977-07-19 US disclosed