SCHEMBL8704133

SCHEMBL8704133

COc1c(C(=O)NC(=N)N)cc(S(C)(=O)=O)cc1-n1cccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
SLC9A1 P19634 1/20 0.36
SLC9A3 P48764 1/20 0.36
SLC9A2 Q9UBY0 1/20 0.36
KMT2A Q03164 4/20 0.35
GAA P10253 3/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
LMNA P02545 1/20 0.32
GHSR Q92847 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL7824006 0.82 KMT2A (0.44) L3MBTL1SLC9A1SLC9A3SLC9A2KMT2A
SCHEMBL7823230 0.79 SLC9A1 (0.56) SLC9A1SLC9A3SLC9A2
SCHEMBL8088976 0.74 LMNA (0.32) LMNA
Eniporide SCHEMBL6619621 0.73 SLC9A1 (0.63) SLC9A1SLC9A3SLC9A2
SCHEMBL8704988 0.72 ALDH1A1 (0.47) L3MBTL1KMT2AGAAALDH1A1POLB
SCHEMBL8700130 0.72 AOC2 (0.39) L3MBTL1SLC9A1SLC9A3SLC9A2GAA
Eniporide SCHEMBL6623628 0.72 SLC9A1 (0.62) SLC9A1SLC9A3SLC9A2
SCHEMBL8700581 0.71 ALDH1A1 (0.45) L3MBTL1KMT2AGAAALDH1A1POLB
SCHEMBL8701429 0.71 ALDH1A1 (0.45) L3MBTL1KMT2AGAAALDH1A1POLB
SCHEMBL8707632 0.70 ALDH1A1 (0.66) L3MBTL1KMT2AGAAALDH1A1POLB

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-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed