SCHEMBL8558706

SCHEMBL8558706

O=S(=O)(Nc1ccccc1)c1ncc2[nH]nnc2n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
IL1RN P18510 1/20 0.39
KEAP1 Q14145 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
PKM P14618 4/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SGK1 O00141 3/20 0.34
MAP2K4 P45985 1/20 0.34
PIK3CD O00329 1/20 0.33
GPR27 Q9NS67 1/20 0.33

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
SCHEMBL28050244 0.73 CYP1A2 (0.36)
SCHEMBL8025504 0.73
SCHEMBL9536716 0.67 HPGDS (0.44) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL6431253 0.67 KEAP1 (0.57) ALDH1A1IL1RNKEAP1ERAP1KMT2A
SCHEMBL4070253 0.67 ALDH1A1 (0.46) ALDH1A1KMT2A
SCHEMBL5227239 0.65 GAA (0.50) ALDH1A1IL1RNKEAP1ERAP1KMT2A
SCHEMBL16045960 0.65 KEAP1 (0.53) ALDH1A1IL1RNKEAP1ERAP1KMT2A
SCHEMBL8558704 0.62 KEAP1 (0.42) ALDH1A1IL1RNKEAP1ERAP1KMT2A
SCHEMBL10546861 0.62 TSHR (0.50) ALDH1A1IL1RNKEAP1ERAP1KMT2A
SCHEMBL6203448 0.61 SYK (0.53) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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