SCHEMBL8990084

SCHEMBL8990084

Nc1c(S(=O)(=O)O)ccc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA4 P22748 2/20 0.39
TSHR P16473 4/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 2/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
CYP2C9 P11712 1/20 0.38
TTR P02766 1/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
NT5E P21589 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL9449070 0.83 ALDH1A1 (0.38) CA1CA2CA4TSHRALDH1A1
SCHEMBL11053840 0.82 AURKA (0.39) CA1CA2TSHRALDH1A1CYP3A4
SCHEMBL562435 0.80 CYP3A4 (0.42) TSHRALDH1A1CYP3A4HSD17B10THRB
SCHEMBL9232836 0.80 MEN1 (0.39) CA1CA2CA4TSHRALDH1A1
SCHEMBL11235101 0.80 ALDH1A1 (0.36) CA1CA2TSHRALDH1A1CYP3A4
SCHEMBL27881048 0.79 TTR (0.46) TSHRALDH1A1HSD17B10THRBHPGD
SCHEMBL27577874 0.78 CYP2C9 (0.37) TSHRALDH1A1CYP3A4HSD17B10THRB
SCHEMBL28230237 0.78 TSHR (0.41) TSHRALDH1A1CYP3A4HSD17B10THRB
Phosphine SCHEMBL8746307 0.78 TSHR (0.41) TSHRALDH1A1CYP3A4HSD17B10THRB
Hydrochloric Acid SCHEMBL27285616 0.78 TSHR (0.41) TSHRALDH1A1CYP3A4HSD17B10THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35359-E Amine salts of azo pigments based on pyrazolone derivatives CIBA-GEIGY CORPORATION (US) 1996-10-22 US disclosed
EP-0241413-B1 AMINE SALTS OF AZO COMPOUNDS CIBA-GEIGY AG (CH) 1993-03-03 EP disclosed
US-5151505-A Monoazo dyes containing hydroxypyrazole groups CIBA-GEIGY CORPORATION (US) 1992-09-29 US disclosed
US-4992495-A Yellow pigment CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
EP-0241413-A2 Amine salts of azo compounds CIBA-GEIGY AG (CH) 1987-10-14 EP disclosed
EP-0154816-A2 Azo compounds containing sulfonic-acid groups BASF Aktiengesellschaft (DE) 1985-09-18 EP disclosed
US-4435336-A FROM ARYLAMINE AND SULFONIC ACID, OR CORRESPONDING ARYLAMMONIUM HY BAYER AKTIENGESELLSCHAFT (DE) 1984-03-06 US disclosed