SCHEMBL6151793

SCHEMBL6151793

CSc1cc(N)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.60
▸ ALDH1A1 P00352 5/20 0.57
▸ MAPT P10636 2/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ CRHBP P24387 2/20 0.51
▸ CRHR2 Q13324 2/20 0.51
▸ CCR2 P41597 5/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ LMNA P02545 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ SLC25A1 P53007 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 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
SCHEMBL6151853 0.82 CRHBP (0.62) FFAR4ALDH1A1MAPTCRHBPCRHR2
SCHEMBL6151145 0.75 ALDH1A1 (0.55) FFAR4ALDH1A1MAPTCRHBPCRHR2
SCHEMBL10618991 0.75 FFAR4 (1.00) FFAR4ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL30561863 0.73 ALDH1A1 (0.66) FFAR4ALDH1A1MAPTSMN1; SMN2CRHBP
SCHEMBL2003165 0.73 ALDH1A1 (0.66) FFAR4ALDH1A1MAPTSMN1; SMN2CRHBP
SCHEMBL7897512 0.73 CRHBP (0.68) FFAR4ALDH1A1MAPTSMN1; SMN2CRHBP
SCHEMBL11056165 0.72 MAPT (0.50) FFAR4ALDH1A1MAPTSMN1; SMN2CRHBP
SCHEMBL11056416 0.72 CRHBP (0.71) FFAR4ALDH1A1MAPTSMN1; SMN2CRHBP
SCHEMBL2006238 0.72 MAPT (0.72) FFAR4ALDH1A1MAPTSMN1; SMN2CRHBP
SCHEMBL30557374 0.72 MAPT (0.72) FFAR4ALDH1A1MAPTSMN1; SMN2CRHBP

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-1018508-B1 Cationic monobenzenic nitrophenylene diamines, their use for dyeing keratinic fibres, dye compositions containing them and dye processes OREAL (FR) 2005-05-04 — — EP disclosed
US-6464731-B1 1-(3-(4-AMINO-2-CHLORO-5-NITROPHENYLAMINO)PROPYL)-3-METHYL-3H -IMIDAZOL-1-IUM BROMIDE USED AS DIRECT HAIR DYES; SOLUBILITY AND PHOTOSTABILITY L'OREAL S.A. (FR) 2002-10-15 — — US disclosed
EP-1018508-A1 Cationic monobenzenic nitrophenylene diamines, their use for dyeing keratinic fibres, dye compositions containing them and dye processes L'OREAL (FR) 2000-07-12 — — EP disclosed
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