SCHEMBL8700037

SCHEMBL8700037

COC(=O)c1cc(S(C)(=O)=O)c(-n2cnc3ccccc32)cc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 4/20 0.49
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
SRC P12931 1/20 0.43
NEK2 P51955 1/20 0.41
PLK1 P53350 1/20 0.41
ALDH1A1 P00352 3/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA13 Q8N1Q1 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
GAA P10253 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 0.88 FGFR1 (0.53) FGFR1MAPTRAB9ASRCNEK2
SCHEMBL8707037 0.87 FGFR1 (0.49) FGFR1MAPTRAB9ASRCNEK2
SCHEMBL8706450 0.87 FGFR1 (0.55) FGFR1MAPTRAB9ASRCNEK2
SCHEMBL8707738 0.85 FGFR1 (0.47) FGFR1MAPTRAB9ASRCNEK2
SCHEMBL8705277 0.85 FGFR1 (0.47) FGFR1MAPTRAB9ASRCNEK2
SCHEMBL8706542 0.85 FGFR1 (0.47) FGFR1MAPTRAB9ASRCNEK2
SCHEMBL8703728 0.85 FGFR1 (0.47) FGFR1MAPTRAB9ASRCNEK2
SCHEMBL8706115 0.85 FGFR1 (0.47) FGFR1MAPTRAB9ASRCNEK2
SCHEMBL8699860 0.84 ALDH1A1 (0.52) FGFR1MAPTRAB9ASRCALDH1A1
SCHEMBL8447166 0.83 SLC9A1 (0.47)

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