SCHEMBL10615498

SCHEMBL10615498

O=[N+]([O-])c1cc(Cl)c(NS(=O)(=O)c2ccccc2)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 2/20 0.67
▸ CRHR2 Q13324 2/20 0.67
▸ ALDH1A1 P00352 5/20 0.60
▸ MAPT P10636 4/20 0.60
▸ SLC25A1 P53007 1/20 0.58
▸ DNMT1 P26358 1/20 0.55
▸ DNMT3A Q9Y6K1 1/20 0.55
▸ FFAR4 Q5NUL3 1/20 0.52
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ VCAM1 P19320 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CA2 P00918 2/20 0.48
▸ CA1 P00915 1/20 0.48

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
SCHEMBL28711028 0.90 ALDH1A1 (0.70) CRHBPCRHR2ALDH1A1MAPTSLC25A1
SCHEMBL10657289 0.88 ALDH1A1 (0.71) CRHBPCRHR2ALDH1A1MAPTSLC25A1
SCHEMBL6151853 0.85 CRHBP (0.62) CRHBPCRHR2ALDH1A1MAPTSLC25A1
SCHEMBL8309888 0.80 CRHBP (1.00) CRHBPCRHR2ALDH1A1MAPTDNMT1
SCHEMBL9749511 0.80 FFAR4 (0.71) CRHBPCRHR2ALDH1A1MAPTSLC25A1
SCHEMBL1138740 0.80 MAPT (0.69) CRHBPCRHR2ALDH1A1MAPTSLC25A1
SCHEMBL28701969 0.80 ALDH1A1 (0.64) CRHBPCRHR2ALDH1A1MAPTSLC25A1
SCHEMBL29507647 0.80 MAPT (0.69) CRHBPCRHR2ALDH1A1MAPTSLC25A1
SCHEMBL5956066 0.80 LMNA (0.57) CRHBPCRHR2ALDH1A1MAPTSLC25A1
SCHEMBL10714707 0.79 VCAM1 (0.45) CRHBPCRHR2ALDH1A1MAPTSLC25A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4725283-A NITROBENZENE DIRECT DYES FOR HUMAN HAIR L'OREAL (FR) 1988-02-16 — — US disclosed
US-4666453-A Nitro-meta-phenylenediamines halogenated in the 6th position and their use in dyeing keratinic substances L'OREAL (FR) 1987-05-19 — — US disclosed
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