SCHEMBL9837875

SCHEMBL9837875

Nc1ccc(C(C(=O)NC2CCCC2)C(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.49
RAB9A P51151 2/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NFKB1 P19838 1/20 0.43
EPHX2 P34913 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TSHR P16473 5/20 0.42
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL9839544 0.99 EPHX1 (0.51) EPHX1RAB9AGAATP53SMN1; SMN2
SCHEMBL9838925 0.89 EPHX1 (0.47) EPHX1RAB9AGAATP53SMN1; SMN2
SCHEMBL9839574 0.87 EPHX1 (0.49) EPHX1RAB9AGAATP53SMN1; SMN2
SCHEMBL9837556 0.86 EPHX1 (0.45) EPHX1RAB9AGAATP53SMN1; SMN2
SCHEMBL9839187 0.84 EPHX1 (0.51) EPHX1RAB9AGAATP53SMN1; SMN2
SCHEMBL9837860 0.79 EPHX1 (0.46) EPHX1RAB9AGAATP53SMN1; SMN2
SCHEMBL10379780 0.79 EPHX1 (0.51) EPHX1RAB9AGAATP53SMN1; SMN2
SCHEMBL27672769 0.79 EPHX1 (0.51) EPHX1RAB9AGAATP53SMN1; SMN2
SCHEMBL9837565 0.78 EPHX1 (0.48) EPHX1RAB9AGAATP53SMN1; SMN2
SCHEMBL9839052 0.78 EPHX1 (0.48) EPHX1RAB9AGAATP53SMN1; SMN2

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 3 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 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