SCHEMBL9837901

SCHEMBL9837901

Nc1ccc(C(CCC2CCCCC2)C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.50
METAP1 P53582 1/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CYP19A1 P11511 2/20 0.32
PREP P48147 2/20 0.32
LDLR P01130 1/20 0.31
EPHX1 P07099 1/20 0.31
EPHX2 P34913 1/20 0.31
DPEP1 P16444 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL9837578 0.98 NFE2L2 (0.47) NFE2L2METAP1ESR1ESR2CYP19A1
SCHEMBL10488102 0.92 NFE2L2 (0.39) NFE2L2ESR1ESR2
SCHEMBL10378485 0.78 NFE2L2 (0.49) NFE2L2METAP1EPHX1EPHX2
SCHEMBL9838929 0.76 KDM4E (0.40) NFE2L2EPHX1GAA
SCHEMBL9839149 0.76 NFE2L2 (0.41) NFE2L2ESR1ESR2
SCHEMBL10379530 0.76 NFE2L2 (0.46) NFE2L2METAP1EPHX1EPHX2
SCHEMBL10379522 0.75 NFE2L2 (0.46) NFE2L2METAP1LDLREPHX1EPHX2
SCHEMBL9838977 0.74 KDM4E (0.38) NFE2L2EPHX1GAA
SCHEMBL10379313 0.74 NFE2L2 (0.45) NFE2L2METAP1ESR1ESR2LDLR
SCHEMBL9838822 0.74 NFE2L2 (0.39) NFE2L2ESR1ESR2

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