SCHEMBL8548401

SCHEMBL8548401

NS(=O)(=O)c1ccccc1C(=O)OC1CSC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
KDM4E B2RXH2 1/20 0.64
POLB P06746 1/20 0.64
TSHR P16473 1/20 0.64
HSD17B10 Q99714 1/20 0.64
CA1 P00915 6/20 0.56
CA2 P00918 6/20 0.56
CA9 Q16790 5/20 0.56
CA5A P35218 2/20 0.56
PTPN2 P17706 8/20 0.49
PTPN1 P18031 8/20 0.49
PTPRF P10586 2/20 0.49
PTPN6 P29350 3/20 0.47
PTPN11 Q06124 2/20 0.47
CYP2C9 P11712 2/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA4 P22748 2/20 0.36

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
SCHEMBL8837628 0.85 ALDH1A1 (0.60) ALDH1A1KDM4EPOLBTSHRHSD17B10
SCHEMBL8837627 0.82 CA1 (0.56) ALDH1A1KDM4EPOLBTSHRHSD17B10
SCHEMBL8837655 0.78 CA1 (0.55) ALDH1A1KDM4EPOLBTSHRHSD17B10
SCHEMBL17358252 0.74 CA1 (0.54) ALDH1A1KDM4EPOLBTSHRHSD17B10
SCHEMBL9706667 0.74 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBTSHRHSD17B10
SCHEMBL2181057 0.73 CA1 (1.00) ALDH1A1KDM4EPOLBTSHRHSD17B10
SCHEMBL30362278 0.73 CA1 (1.00) ALDH1A1KDM4EPOLBTSHRHSD17B10
SCHEMBL8548172 0.70 TSHR (0.51) ALDH1A1KDM4EPOLBTSHRHSD17B10
SCHEMBL8507951 0.69 CA1 (0.68) ALDH1A1KDM4EPOLBHSD17B10CA1
SCHEMBL30748712 0.69 CA1 (0.68) ALDH1A1KDM4ETSHRHSD17B10CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0840734-A1 SUBSTITUTED ARYL SULPHONYL AMINO (THIO) CARBONYL TRIAZOLIN(THI)ONES BAYER AG (DE) 1998-05-13 EP disclosed
WO-1997003980-A1 SUBSTITUTED ARYL SULPHONYL AMINO (THIO) CARBONYL TRIAZOLIN(THI)ONES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-06 WO disclosed
US-5597779-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1997-01-28 US disclosed
US-5552368-A Sulfonylureas CIBA-GEIGY CORPORATION (US) 1996-09-03 US disclosed
US-5519148-A CHEMICAL INTERMEDIATES FOR HERBICIDES CIBA-GEIGY CORPORATION (US) 1996-05-21 US disclosed
US-5489695-A PREEMERGENCE, POSTEMERGENCE HERBICIDES CIBA-GEIGY CORPORATION (US) 1996-02-06 US disclosed
US-5412107-A Phenylsulfonylchloride intermediates useful for the preparation of herbicidally active sulfonylureas CIBA-GEIGY CORPORATION (US) 1995-05-02 US disclosed
US-5286709-A Sulfonylureas CIBA-GEIGY CORPORATION (US) 1994-02-15 US disclosed
US-5209771-A Herbicides CIBA-GEIGY CORPORATION (US) 1993-05-11 US disclosed
EP-0496701-A1 Sulfonylureas as herbizides CIBA-GEIGY AG (CH) 1992-07-29 EP disclosed