SCHEMBL9422167

SCHEMBL9422167

O=[N+]([O-])c1c(Cl)ccc2c([N+](=O)[O-])c(Cl)ccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ TSHR P16473 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ S100A4 P26447 1/20 0.43
▸ VCAM1 P19320 5/20 0.42
▸ MAPK1 P28482 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39
▸ GRIN3A Q8TCU5 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL29702010 0.87 ALDH1A1 (0.56) ALDH1A1TSHRTDP1HSD17B10VCAM1
SCHEMBL7514813 0.87 ALDH1A1 (0.56) ALDH1A1TSHRTDP1HSD17B10VCAM1
SCHEMBL3776997 0.83 HPRT1 (0.56) ALDH1A1TSHRTDP1HSD17B10S100A4
SCHEMBL3697120 0.83 HPRT1 (0.56) ALDH1A1TSHRTDP1HSD17B10S100A4
SCHEMBL307254 0.82 TSHR (0.36) ALDH1A1TSHRTDP1HSD17B10S100A4
SCHEMBL10980919 0.80 TSHR (0.62) ALDH1A1TSHRTDP1HSD17B10VCAM1
SCHEMBL3699674 0.79 TSHR (0.62) ALDH1A1TSHRTDP1HSD17B10S100A4
SCHEMBL670917 0.77 TSHR (0.58) ALDH1A1TSHRTDP1HSD17B10MAPK1
SCHEMBL11160686 0.76 ALDH1A1 (0.71) ALDH1A1MAPT
SCHEMBL10921245 0.76 ALDH1A1 (0.40) ALDH1A1TSHRTDP1HSD17B10VCAM1

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
US-5374706-A High molecular weight ordered polybenzoxazole fibers THE DOW CHEMICAL COMPANY (US) 1994-12-20 — — US disclosed
US-4703103-A POLYPHOSPHORIC ACID CATALYST COMMTECH INTERNATIONAL (US) 1987-10-27 — — US disclosed
WO-1985004178-A1 LIQUID CRYSTALLINE POLYMER COMPOSITIONS, PROCESS, AND PRODUCTS SRI INTERNATIONAL (US) 1985-09-26 — — WO disclosed
US-4533692-A Liquid crystalline polymer compositions, process, and products SRI INTERNATIONAL (US) 1985-08-06 — — US disclosed
US-4533693-A ANISOTROPIC; FIBERS, FILMS SRI INTERNATIONAL (US) 1985-08-06 — — US disclosed
US-4533724-A Liquid crystalline poly (2,6-benzothiazole) compositions, process, and products SRI INTERNATIONAL (US) 1985-08-06 — — US disclosed
EP-0119271-A4 LIQUID CRYSTALLINE POLYMER COMPOSITIONS, PROCESS, AND PRODUCTS. STANFORD RES INST INT (US) 1985-07-01 — — EP disclosed
EP-0119271-A1 LIQUID CRYSTALLINE POLYMER COMPOSITIONS, PROCESS, AND PRODUCTS. STANFORD RES INST INT (US) 1984-09-26 — — EP disclosed
EP-0119192-A1 LIQUID CRYSTALLINE POLYMER COMPOSITIONS, PROCESS, AND PRODUCTS SRI INTERNATIONAL (US) 1984-09-26 — — EP disclosed
EP-0119202-A1 LIQUID CRYSTALLINE POLY(2,6-BENZOTHIAZOLE) COMPOSITIONS, PROCESS AND PRODUCTS SRI INTERNATIONAL (US) 1984-09-26 — — EP disclosed
WO-1984001160-A1 LIQUID CRYSTALLINE POLYMER COMPOSITIONS, PROCESS, AND PRODUCTS STANFORD RES INST INT (US) 1984-03-29 — — WO disclosed
WO-1984001161-A1 LIQUID CRYSTALLINE POLY(2,6-BENZOTHIAZOLE) COMPOSITIONS, PROCESS AND PRODUCTS STANFORD RES INST INT (US) 1984-03-29 — — WO disclosed
WO-1984001162-A1 LIQUID CRYSTALLINE POLYMER COMPOSITIONS, PROCESS, AND PRODUCTS STANFORD RES INST INT (US) 1984-03-29 — — WO disclosed
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