SCHEMBL8750946

SCHEMBL8750946

O=C(Cl)c1ccc(S(=O)(=O)CCCl)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
HSD11B1 P28845 4/20 0.42
ALDH1A1 P00352 3/20 0.41
PAX8 Q06710 1/20 0.41
CA2 P00918 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2916604 0.85 TSHR (0.56) KMT2AHSD11B1ALDH1A1CA2TSHR
SCHEMBL10743955 0.84 ALDH1A1 (0.44) KMT2AHSD11B1ALDH1A1CA2TSHR
SCHEMBL10451127 0.80 PSIP1 (0.50) KMT2AHSD11B1ALDH1A1PAX8CA2
SCHEMBL31361829 0.79 THRB (0.59) KMT2AALDH1A1PAX8CA2CYP3A4
SCHEMBL5673655 0.79 HSD11B1 (0.44) KMT2AHSD11B1ALDH1A1CA2TSHR
SCHEMBL13423072 0.78 ALDH1A1 (0.42) KMT2AHSD11B1ALDH1A1CA2TSHR
SCHEMBL5974400 0.78 CA2 (0.53) KMT2AALDH1A1PAX8CA2TSHR
SCHEMBL6741405 0.78 THRB (0.62) KMT2AALDH1A1CA2CYP3A4CYP2C9
SCHEMBL10622485 0.76 ALDH1A1 (0.49) KMT2AHSD11B1ALDH1A1PAX8TSHR
SCHEMBL426162 0.75 ALDH1A1 (0.52) KMT2AHSD11B1ALDH1A1CA2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0552629-B1 Reactive dyes BAYER AG (DE) 1997-02-26 EP disclosed
US-5591834-A AZO, PHTHALOCYANINE, AND DIOXAZINE DYES FOR COTTON AND POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-01-07 US disclosed
US-5532362-A COLORFAST, HIGH TINCTORIAL STRENGTH HOECHST CELANESE CORPORATION (US) 1996-07-02 US disclosed
EP-0515844-B1 Phenylazo- or naphthylazobenzenes with several reactive groups BASF AG (DE) 1995-12-27 EP disclosed
US-5276148-A Phenylazobenzenes or naphthylazobenzenes having a plurality of fiber-reactive groups BASF AKTIENGESELLSCHAFT (DE) 1994-01-04 US disclosed
EP-0552629-A2 Reactive dyes BAYER AG (DE) 1993-07-28 EP disclosed
EP-0515844-A1 Phenylazo- or naphthylazobenzenes with several reactive groups BASF Aktiengesellschaft (DE) 1992-12-02 EP disclosed
US-5118826-A Colorfastness CIBA-GEIGY CORPORATION (US) 1992-06-02 US disclosed
EP-0303081-B1 WATER SOLUBLE DISAZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-02 EP disclosed
US-5055565-A Fiber-reactive dyes HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-08 US disclosed
US-5021557-A Copper-containing formazan dye, colorfast blue shades on cellulose CIBA-GEIGY CORPORATION (US) 1991-06-04 US disclosed
US-4818814-A COLORFASTNESS HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-04 US disclosed