SCHEMBL9838879

SCHEMBL9838879

CC(F)(C(=O)NC1CC1)c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
PKM P14618 1/20 0.41
EPHX1 P07099 3/20 0.41
RAB9A P51151 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
HSD11B1 P28845 1/20 0.39
EPHX2 P34913 6/20 0.39
TEAD1 P28347 1/20 0.39
PTGS1 P23219 2/20 0.39
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SSTR4 P31391 2/20 0.37
SSTR1 P30872 1/20 0.37

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
SCHEMBL9838913 0.94 RAB9A (0.49) GAAEPHX1RAB9APDK1PDK2
SCHEMBL9837558 0.93 RAB9A (0.51) GAAEPHX1RAB9APDK1PDK2
SCHEMBL9838818 0.81 EPHX1 (0.41) GAAEPHX1RAB9AHSD11B1EPHX2
SCHEMBL9838897 0.78 EPHX1 (0.51) GAAEPHX1RAB9APDK1PDK2
SCHEMBL9837559 0.77 RAB9A (0.54) GAAEPHX1RAB9APDK1PDK2
SCHEMBL9837856 0.76 RAB9A (0.49) GAAEPHX1RAB9APDK1PDK2
SCHEMBL9837842 0.75 EPHX1 (0.51) GAAEPHX1RAB9APDK1PDK2
SCHEMBL9837550 0.75 EPHX1 (0.48) GAAEPHX1RAB9APDK1PDK2
SCHEMBL31488958 0.73 LTA4H (0.42) GAAEPHX1RAB9ALMNASSTR4
SCHEMBL9837845 0.72 KIF11 (0.43) PKMRAB9AEPHX2PTGS1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276122-B1 CYCLOALKYL-SUBSTITUTED 4-AMINOPHENYL HALO DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-08-07 EP disclosed
EP-0276122-A2 Cycloalkyl-substituted 4-aminophenyl halo derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-07-27 EP disclosed