SCHEMBL9837549

SCHEMBL9837549

CC(F)(CNC1CCCC1)c1ccc(N)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
EPHX1 P07099 3/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.35
KIF11 P52732 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL9837533 0.98 EPHX1 (0.38) ALDH1A1MEN1KMT2AKDM4ECA12
SCHEMBL9837596 0.75 NFE2L2 (0.36) ALDH1A1RAB9ANPC1MAPTHPGD
SCHEMBL9838902 0.74 NFE2L2 (0.45) ALDH1A1CA12CA1CA2CA9
SCHEMBL9837883 0.74 NFE2L2 (0.39) ALDH1A1RAB9ANPC1MAPTHPGD
SCHEMBL9837839 0.73 NFE2L2 (0.47) ALDH1A1RAB9ANPC1MAPTHPGD
SCHEMBL8351031 0.72 KDM4E (0.46) ALDH1A1MEN1KMT2AKDM4EEPHX1
SCHEMBL9838913 0.70 RAB9A (0.49) MEN1KMT2AEPHX1RAB9ANPC1
SCHEMBL15114114 0.69 PDK1 (0.37) ALDH1A1MEN1KMT2AKDM4EEPHX1
SCHEMBL8351156 0.69 KDM4E (0.43) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL25042383 0.69 EPHX1 (0.41) ALDH1A1MEN1KMT2AKDM4EEPHX1

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