SCHEMBL14177874

SCHEMBL14177874

O=C(CCON(O)O)NS(=O)(=O)c1cc(C(=O)O)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.49
▸ HTT P42858 1/20 0.48
▸ POLB P06746 4/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.45
▸ MAPK1 P28482 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ ACLY P53396 1/20 0.42

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
SCHEMBL14177860 0.93 KDM4E (0.47) KDM4EHTTPOLBHSD17B10KMT2A
SCHEMBL14177862 0.84 KDM4E (0.50) KDM4EHTTPOLBHSD17B10KMT2A
SCHEMBL14387377 0.78 KMT2A (0.58) KDM4EHTTPOLBHSD17B10KMT2A
SCHEMBL11930743 0.74 POLB (0.62) KDM4EHTTPOLBHSD17B10KMT2A
SCHEMBL8067660 0.72 POLB (0.62) KDM4EHTTPOLBHSD17B10KMT2A
SCHEMBL11026357 0.70 POLB (0.65) KDM4EHTTPOLBHSD17B10KMT2A
SCHEMBL9885777 0.70 KDM4E (0.60) KDM4EHTTPOLBHSD17B10KMT2A
SCHEMBL13543489 0.70 MAPT (0.73) KDM4EHTTPOLBHSD17B10KMT2A
SCHEMBL11710034 0.68 MAPT (0.56) KDM4EHTTPOLBHSD17B10KMT2A
SCHEMBL9436712 0.68 GSTO1 (0.66) KDM4EPOLBHSD17B10KMT2ASMN1; SMN2

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
WO-2008071421-A1 NITRATE ESTERS OF CARBONIC ANHYDRASE INHIBITORS NICOX S.A. (FR) 2008-06-19 — — WO disclosed
Send feedback