SCHEMBL9837558

SCHEMBL9837558

CC(F)(C(=O)NC1CCCCC1)c1ccc(N)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
EPHX1 P07099 3/20 0.51
GAA P10253 3/20 0.51
PDK1 Q15118 1/20 0.51
PDK2 Q15119 1/20 0.51
PDK3 Q15120 1/20 0.51
PDK4 Q16654 1/20 0.51
EPHX2 P34913 3/20 0.48
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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 0.99 RAB9A (0.49) RAB9AEPHX1GAAPDK1PDK2
SCHEMBL9838879 0.93 GAA (0.46) RAB9AEPHX1GAAPDK1PDK2
SCHEMBL9837559 0.85 RAB9A (0.54) RAB9AEPHX1GAAPDK1PDK2
SCHEMBL9838897 0.84 EPHX1 (0.51) RAB9AEPHX1GAAPDK1PDK2
SCHEMBL9837842 0.83 EPHX1 (0.51) RAB9AEPHX1GAAPDK1PDK2
SCHEMBL9837550 0.82 EPHX1 (0.48) RAB9AEPHX1GAAPDK1PDK2
SCHEMBL9837856 0.81 RAB9A (0.49) RAB9AEPHX1GAAPDK1PDK2
SCHEMBL9837857 0.79 RAB9A (0.50) RAB9AEPHX1GAAPDK1PDK2
SCHEMBL9838968 0.77 EPHX1 (0.48) RAB9AEPHX1GAAPDK1PDK2
SCHEMBL10172721 0.76 PDK1 (0.70) RAB9AEPHX1GAAPDK1PDK2

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 5 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 claimed
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 claimed
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
US-4847295-A ANTITUMOR AGENTS FARMITALIA CARLO ERBA S.R.L. (IT) 1989-07-11 US 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