SCHEMBL8558704

SCHEMBL8558704

O=S(=O)(Nc1ccccc1)c1ncccn1.c1c[nH]nn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.42
IL1RN P18510 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GRM4 Q14833 1/20 0.40
MEN1 O00255 1/20 0.40
LIMK2 P53671 2/20 0.40
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
SLC40A1 Q9NP59 1/20 0.37
PGR P06401 1/20 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
SCHEMBL6431253 0.84 KEAP1 (0.57) KEAP1IL1RNERAP1ALDH1A1KMT2A
Pyrimidine SCHEMBL467971 0.74 PTPRB (0.36) KEAP1IL1RNERAP1ALDH1A1KMT2A
Diphenylamine SCHEMBL7524565 0.73 HSD17B10 (0.50) ALDH1A1KMT2AKDM4EMEN1
Uracil SCHEMBL28070885 0.73 CRBN (0.46) KEAP1IL1RNERAP1ALDH1A1KMT2A
SCHEMBL27753867 0.73 AURKA (0.46) KMT2AKDM4EGRM4MEN1
SCHEMBL28576 0.73 CA1 (0.33) CA1CA2CA9
SCHEMBL19741153 0.73 COMT (0.30)
Phenylhydrazine SCHEMBL27512048 0.71 TDP1 (0.54) ALDH1A1KMT2AKDM4EMEN1
SCHEMBL16045960 0.71 KEAP1 (0.53) KEAP1IL1RNERAP1ALDH1A1KMT2A
SCHEMBL31219641 0.69 KEAP1 (0.58) KEAP1ALDH1A1KMT2AMEN1CA1

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
CN-1984558-A Novel herbicide resistance gene DOW AGROSCIENCES LLC (US) 2007-06-20 CN disclosed
EP-0537611-B1 Process for the preparation of substituted N-(aryl)-1,2,4-triazolopyrimidine-2-sulfonamides DOW AGROSCIENCES LLC (US) 1998-08-12 EP disclosed
EP-0434624-B1 Triazolylsulfonamides CIBA GEIGY AG (CH) 1995-02-08 EP disclosed
US-5217521-A Preemergence, postemergence herbicides CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed
US-5217521-A Preemergence, postemergence herbicides CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed
EP-0434624-A1 Triazolylsulfonamides CIBA-GEIGY AG (CH) 1991-06-26 EP disclosed
EP-0434624-A1 Triazolylsulfonamides CIBA-GEIGY AG (CH) 1991-06-26 EP disclosed