SCHEMBL9464992

SCHEMBL9464992

Nc1cc(CS(=O)(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 4/20 0.42
GPR35 Q9HC97 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
TSHR P16473 2/20 0.38
ACP1 P24666 1/20 0.38
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1708798 0.80 ALDH1A1 (0.39) ALDH1A1TSHRCA2CA1MMP1
SCHEMBL922768 0.79 NPC1 (0.47) ALDH1A1POLBHTTNPC1MAPT
SCHEMBL6739273 0.77 MAPT (0.47) ALDH1A1POLBHTTNPC1MAPT
SCHEMBL496751 0.76 TSHR (0.61) ALDH1A1HTTMEN1KMT2ATSHR
SCHEMBL6742072 0.75 MAPT (0.46) ALDH1A1POLBHTTNPC1MAPT
SCHEMBL7786787 0.75 HTT (0.58) ALDH1A1POLBHTTNPC1MAPT
SCHEMBL921902 0.75 MAPT (0.46) ALDH1A1POLBHTTNPC1MAPT
SCHEMBL8870409 0.75 TSHR (0.59) ALDH1A1HTTMEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL27821527 0.75 TSHR (0.59) ALDH1A1HTTMEN1KMT2ATSHR
SCHEMBL7083788 0.75 NPC1 (0.48) ALDH1A1POLBHTTNPC1MAPT

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-5204453-A Process for the preparation of 1:2 metal complex azo compounds by carrying out diazotization and coupling in the presence of a metal donor CIBA-GEIGY CORPORATION (US) 1993-04-20 US disclosed
US-4704133-A FIBER-REACTIVE CIBA-GEIGY CORPORATION (US) 1987-11-03 US disclosed
US-4680385-A Metal dye complexes containing an azo or azomethine dye and a colorless ligand with the C═N--N═C group CIBA-GEIGY CORPORATION (US) 1987-07-14 US disclosed
US-4678851-A FIBER-RACTIVE CIBA-GEIGY CORPORATION (US) 1987-07-07 US disclosed
US-4340536-A Chrome-complex dyes and the production and use thereof CIBA-GEIGY CORPORATION (US) 1982-07-20 US disclosed
US-4331596-A Arylazoarylazo-substituted azo, azomethine 1:2 chromium complex dyes CIBA-GEIGY CORPORATION (US) 1982-05-25 US disclosed
US-4311641-A Chromium complexes of mixed azo compounds CIBA-GEIGY CORPORATION (US) 1982-01-19 US disclosed
US-4256633-A AZO DYES; AZOMETHINE DYES; WOOL, POLYAMIDES, AND LEATHER CIBA-GEIGY CORPORATION (US) 1981-03-17 US disclosed
US-4219473-A Substituted unsymmetrical azo, azomethine 1:2 chromium complexes CIBA-GEIGY CORPORATION (US) 1980-08-26 US disclosed
US-4116952-A POLYAMIDES CIBA-GEIGY CORPORATION (US) 1978-09-26 US disclosed
US-4092307-A COPPER, NICKEL, COBALT OR CHROMIUM CIBA-GEIGY CORPORATION (US) 1978-05-30 US disclosed
US-4033942-A Chromium complex dye, including azo and azo methine dye compounds CIBA-GEIGY AG (CH) 1977-07-05 US disclosed
US-3978037-A POLYAMIDES CIBA-GEIGY CORPORATION (US) 1976-08-31 US disclosed