SCHEMBL8671772

SCHEMBL8671772

CSc1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.57
▸ TSHR P16473 6/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.45
▸ GRIN2D O15399 1/20 0.44
▸ GRIN3B O60391 1/20 0.44
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ GRIN2C Q14957 1/20 0.44
▸ GRIN3A Q8TCU5 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL8679527 0.81 ALDH1A1 (0.50) GPR35TSHRCYP3A4KDM4ETDP1
SCHEMBL7597811 0.78 TSHR (0.62) GPR35TSHRCYP3A4TDP1HSD17B10
SCHEMBL8675771 0.77 TDP1 (0.60) GPR35TSHRTDP1HSD17B10ALDH1A1
SCHEMBL260768 0.77 GPR35 (0.67) GPR35TSHRCYP3A4KDM4ETDP1
SCHEMBL11802737 0.75 GPR35 (0.64) GPR35TSHRCYP3A4KDM4ETDP1
SCHEMBL12863895 0.74 GPR35 (0.57) GPR35TSHRCYP3A4KDM4ETDP1
SCHEMBL699870 0.74 TSHR (0.60) GPR35TSHRTDP1HSD17B10ALDH1A1
SCHEMBL322531 0.73 GPR35 (1.00) GPR35TSHRCYP3A4KDM4ETDP1
SCHEMBL19420578 0.73 GPR35 (0.61) GPR35TSHRCYP3A4KDM4ETDP1
Benzene SCHEMBL27490159 0.73 GPR35 (0.61) GPR35TSHRCYP3A4KDM4ETDP1

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
US-5710311-A 2-sulphured metaphenylenediamines for dyeing hair L'OREAL (FR) 1998-01-20 — — US disclosed
EP-0586660-B1 2-SULPHURED METAPHENYLENEDIAMINES FOR DYEING HAIR OREAL (FR) 1997-01-29 — — EP disclosed
US-5505741-A DYEING HAIR BY OXIDATION, RINSING, WASHING WITH SHAMPOO, RINSING AND DRYING L'OREAL (FR) 1996-04-09 — — US disclosed
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