SCHEMBL9837893

SCHEMBL9837893

Nc1ccc(C(C(=O)NC2CCCCC2)C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.44
EPHX2 P34913 2/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
TSHR P16473 6/20 0.43
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL9837565 0.99 EPHX1 (0.48) EPHX1RAB9AGAASMN1; SMN2EPHX2
SCHEMBL9837605 0.89 EPHX1 (0.48) EPHX1RAB9AGAASMN1; SMN2EPHX2
SCHEMBL9837570 0.88 EPHX1 (0.46) EPHX1RAB9AGAASMN1; SMN2EPHX2
SCHEMBL9838858 0.86 EPHX1 (0.50) EPHX1RAB9AGAASMN1; SMN2EPHX2
SCHEMBL9837592 0.80 EPHX1 (0.47) EPHX1RAB9AGAASMN1; SMN2EPHX2
SCHEMBL9839544 0.79 EPHX1 (0.51) EPHX1RAB9AGAASMN1; SMN2EPHX2
SCHEMBL9837890 0.78 EPHX1 (0.45) EPHX1RAB9AGAASMN1; SMN2EPHX2
SCHEMBL10378500 0.78 EPHX1 (0.54) EPHX1RAB9AGAASMN1; SMN2EPHX2
SCHEMBL27672770 0.78 EPHX1 (0.54) EPHX1RAB9AGAASMN1; SMN2EPHX2
SCHEMBL9838823 0.78 EPHX1 (0.50) EPHX1RAB9AGAASMN1; SMN2EPHX2

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 6 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
US-4847295-A ANTITUMOR AGENTS FARMITALIA CARLO ERBA S.R.L. (IT) 1989-07-11 US 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