SCHEMBL9837533

SCHEMBL9837533

CC(F)(CNC1CCCCC1)c1ccc(N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.38
RAB9A P51151 3/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9837549 0.98 ALDH1A1 (0.36) EPHX1RAB9AGAACYP2D6CYP1A2
SCHEMBL9837883 0.76 NFE2L2 (0.39) RAB9ANFE2L2ALDH1A1NPC1MAPT
SCHEMBL9837839 0.75 NFE2L2 (0.47) RAB9ACYP1A2NFE2L2ALDH1A1NPC1
SCHEMBL9837596 0.74 NFE2L2 (0.36) RAB9ANFE2L2ALDH1A1NPC1MAPT
SCHEMBL9838902 0.73 NFE2L2 (0.45) RAB9ANFE2L2ALDH1A1CA12CA1
SCHEMBL8351031 0.71 KDM4E (0.46) EPHX1RAB9ACYP2D6CYP1A2CYP2C9
SCHEMBL25042383 0.71 EPHX1 (0.41) EPHX1RAB9AGAACYP2D6CYP1A2
SCHEMBL9837558 0.71 RAB9A (0.51) EPHX1RAB9AGAACYP1A2CYP2C19
SCHEMBL15114086 0.70 KDM4E (0.40) EPHX1GAACYP2D6CYP1A2CYP2C9
SCHEMBL9838913 0.69 RAB9A (0.49) EPHX1RAB9AGAACYP1A2CYP2C19

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