SCHEMBL9832891

SCHEMBL9832891

CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2nc3nc(C)cc(C)n3n2)c1Br

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 1/20 0.49
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.47
USP2 O75604 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.43
ALOX15 P16050 1/20 0.42
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL9830997 0.91 TSHR (0.54) ALDH1A1GAAHSD17B10TSHRMEN1
SCHEMBL9830376 0.89 ALDH1A1 (0.51) ALDH1A1GAAHSD17B10TSHRMEN1
SCHEMBL10664447 0.88 HPGD (0.43) ALDH1A1GAAHSD17B10TSHRMEN1
SCHEMBL9831713 0.88 TSHR (0.48) ALDH1A1GAAHSD17B10TSHRMEN1
SCHEMBL9831418 0.87 ALDH1A1 (0.56) ALDH1A1GAAHSD17B10TSHRMEN1
SCHEMBL9832683 0.87 ALDH1A1 (0.50) ALDH1A1GAATSHRKMT2AKDM4E
SCHEMBL9831537 0.87 TSHR (0.52) ALDH1A1GAAHSD17B10TSHRMEN1
SCHEMBL9831934 0.87 TSHR (0.51) ALDH1A1TSHRMEN1GLAKMT2A
SCHEMBL9832454 0.84 ALDH1A1 (0.49) ALDH1A1GAAHSD17B10TSHRMEN1
SCHEMBL9832394 0.84 ALDH1A1 (0.49) ALDH1A1GAAHSD17B10TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0142152-B1 Novel substituted 1,2,4-triazolo- [1,5-a] pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1991-03-20 EP claimed