SCHEMBL9838902

SCHEMBL9838902

CC(F)(CCC1CCCC1)c1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.45
KIF11 P52732 1/20 0.36
LDLR P01130 1/20 0.34
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
MAOB P27338 2/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
HSD11B1 P28845 1/20 0.31
CYP19A1 P11511 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31

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
SCHEMBL9837839 0.98 NFE2L2 (0.47) NFE2L2KIF11LDLRNPC1ALDH1A1
SCHEMBL9837596 0.74 NFE2L2 (0.36) NFE2L2KIF11NPC1ALDH1A1MAPT
SCHEMBL9837549 0.74 ALDH1A1 (0.36) NFE2L2KIF11NPC1ALDH1A1MAPT
SCHEMBL9837883 0.73 NFE2L2 (0.39) NFE2L2KIF11NPC1ALDH1A1MAPT
SCHEMBL9837533 0.73 EPHX1 (0.38) NFE2L2NPC1ALDH1A1MAPTRAB9A
SCHEMBL9838727 0.72 NFE2L2 (0.38) NFE2L2LDLRNPC1RAB9AHSD11B1
SCHEMBL9837560 0.71 NFE2L2 (0.40) NFE2L2LDLRNPC1RAB9AHSD11B1
SCHEMBL14143516 0.70 MAPT (0.50) KIF11NPC1ALDH1A1MAPTRAB9A
SCHEMBL20423878 0.69 NFE2L2 (0.55) NFE2L2KIF11LDLRMAOB
SCHEMBL9837578 0.69 NFE2L2 (0.47) NFE2L2CYP19A1SLC6A3

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