SCHEMBL9837839

SCHEMBL9837839

CC(F)(CCC1CCCCC1)c1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.47
LDLR P01130 1/20 0.36
KIF11 P52732 1/20 0.35
CYP19A1 P11511 2/20 0.33
HSD11B1 P28845 2/20 0.33
MLYCD O95822 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 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
CYP1A2 P05177 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
ACHE P22303 1/20 0.32
HTR4 Q13639 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL9838902 0.98 NFE2L2 (0.45) NFE2L2LDLRKIF11CYP19A1HSD11B1
SCHEMBL9837533 0.75 EPHX1 (0.38) NFE2L2ALDH1A1NPC1MAPTRAB9A
SCHEMBL9837883 0.75 NFE2L2 (0.39) NFE2L2KIF11CYP19A1HSD11B1ALDH1A1
SCHEMBL9837549 0.73 ALDH1A1 (0.36) NFE2L2KIF11ALDH1A1NPC1MAPT
SCHEMBL9837596 0.73 NFE2L2 (0.36) NFE2L2KIF11CYP19A1ALDH1A1NPC1
SCHEMBL9837560 0.73 NFE2L2 (0.40) NFE2L2LDLRHSD11B1MLYCDHDAC6
SCHEMBL9838727 0.71 NFE2L2 (0.38) NFE2L2LDLRHSD11B1MLYCDHDAC6
SCHEMBL20423878 0.71 NFE2L2 (0.55) NFE2L2LDLRKIF11
SCHEMBL18151840 0.70 NFE2L2 (0.43) NFE2L2LDLRKIF11CYP19A1HSD11B1
SCHEMBL9837901 0.70 NFE2L2 (0.50) NFE2L2LDLRCYP19A1

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 4 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-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