SCHEMBL8699860

SCHEMBL8699860

COC(=O)c1cc(S(C)(=O)=O)c(-n2cnc3ccccc32)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HTT P42858 1/20 0.52
FGFR1 P11362 4/20 0.46
VCAM1 P19320 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SRC P12931 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL8706207 0.85 FGFR1 (0.53) ALDH1A1FGFR1MEN1KMT2AMAPT
SCHEMBL8446574 0.84 ALDH1A1 (0.49) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL8700037 0.84 FGFR1 (0.49) ALDH1A1HTTFGFR1MAPTRAB9A
SCHEMBL8707037 0.84 FGFR1 (0.49) ALDH1A1HTTFGFR1MEN1KMT2A
SCHEMBL8706450 0.84 FGFR1 (0.55) ALDH1A1FGFR1MEN1KMT2AMAPT
SCHEMBL8707738 0.81 FGFR1 (0.47) ALDH1A1HTTFGFR1MEN1KMT2A
SCHEMBL8706542 0.81 FGFR1 (0.47) ALDH1A1HTTFGFR1MAPTRAB9A
SCHEMBL8703728 0.81 FGFR1 (0.47) ALDH1A1FGFR1MAPTRAB9AGAA
SCHEMBL8705277 0.81 FGFR1 (0.47) ALDH1A1FGFR1MAPTRAB9AGAA
SCHEMBL8706115 0.81 FGFR1 (0.47) ALDH1A1FGFR1MAPTRAB9AGAA

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-5753680-A Heterocyclyl-benzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-19 US disclosed