SCHEMBL8705277

SCHEMBL8705277

COC(=O)c1cc(S(C)(=O)=O)c(-n2cnc3ccccc32)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
SRC P12931 1/20 0.41
KDR P35968 2/20 0.40
AURKB Q96GD4 2/20 0.40
AURKA O14965 1/20 0.40
PLK1 P53350 4/20 0.39
NEK2 P51955 2/20 0.39
MAP4K4 O95819 1/20 0.39
CSF1R P07333 1/20 0.39
PIM1 P11309 1/20 0.39
LIMK1 P53667 1/20 0.39
STK3 Q13188 1/20 0.39
CAMK2B Q13554 1/20 0.39
CAMK2G Q13555 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
SCHEMBL8707037 0.87 FGFR1 (0.49) FGFR1ALDH1A1GAAMAPTRAB9A
SCHEMBL8706207 0.85 FGFR1 (0.53) FGFR1ALDH1A1GAAMAPTRAB9A
SCHEMBL8700037 0.85 FGFR1 (0.49) FGFR1ALDH1A1GAAMAPTRAB9A
SCHEMBL8706450 0.85 FGFR1 (0.55) FGFR1ALDH1A1GAAMAPTRAB9A
SCHEMBL8706542 0.84 FGFR1 (0.47) FGFR1ALDH1A1GAAMAPTRAB9A
SCHEMBL8706115 0.84 FGFR1 (0.47) FGFR1ALDH1A1GAAMAPTRAB9A
SCHEMBL8444311 0.83 SLC9A1 (0.44)
SCHEMBL8707738 0.82 FGFR1 (0.47) FGFR1ALDH1A1GAAMAPTRAB9A
SCHEMBL8703728 0.82 FGFR1 (0.47) FGFR1ALDH1A1GAAMAPTRAB9A
SCHEMBL8699860 0.81 ALDH1A1 (0.52) FGFR1ALDH1A1GAAMAPTRAB9A

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