SCHEMBL9864427

SCHEMBL9864427

N#CCC(=O)Nc1cccc(S(=O)(=O)O)c1.[KH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.55
CA2 P00918 11/20 0.55
CA12 O43570 4/20 0.55
CA9 Q16790 4/20 0.55
HTT P42858 2/20 0.54
HSD17B10 Q99714 1/20 0.54
CASR P41180 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
MITF O75030 1/20 0.45
LMNA P02545 1/20 0.45
NOD2 Q9HC29 1/20 0.45
CA4 P22748 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL9320423 0.99 CA1 (0.56) CA1CA2CA12CA9HTT
Potassium Ion SCHEMBL9864416 0.84 CA1 (0.57) CA1CA2CA12CA9HTT
SCHEMBL11516870 0.81 CA1 (0.54) CA1CA2CA12CA9HTT
SCHEMBL28816108 0.80 CA1 (0.56) CA1CA2CA12CA9HTT
SCHEMBL8996041 0.79 MAPT (0.59) HTTHSD17B10CYP1A2CYP2C19JAK2
SCHEMBL6249277 0.78 CA1 (0.51) CA1CA2CA12CA9HTT
SCHEMBL5705537 0.78 CA1 (0.57) CA1CA2HTTCASRCYP1A2
Potassium SCHEMBL11516876 0.78 CA1 (0.54) CA1CA2CA12CA9HTT
SCHEMBL8650426 0.77 HTT (0.61) CA1CA2CA12CA9HTT
SCHEMBL11564480 0.77 ALDH1A1 (0.53) CA1CA2HTTCASRALDH1A1

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
US-5049477-A Image forming, etching, plating FUJI PHOTO FILM CO., LTD. (JP) 1991-09-17 US disclosed