SCHEMBL9839574

SCHEMBL9839574

CC(F)C(C(=O)NC1CCCCC1)c1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 2/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
EPHX2 P34913 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 4/20 0.45
KMT2A Q03164 2/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL9838925 0.99 EPHX1 (0.47) EPHX1SMN1; SMN2RAB9ATP53NFKB1
SCHEMBL9839544 0.89 EPHX1 (0.51) EPHX1SMN1; SMN2RAB9ATP53NFKB1
SCHEMBL9837875 0.87 EPHX1 (0.49) EPHX1SMN1; SMN2RAB9ATP53NFKB1
SCHEMBL9839187 0.83 EPHX1 (0.51) EPHX1SMN1; SMN2RAB9ATP53NFKB1
SCHEMBL27672770 0.83 EPHX1 (0.54) EPHX1SMN1; SMN2RAB9ATP53NFKB1
SCHEMBL10378500 0.83 EPHX1 (0.54) EPHX1SMN1; SMN2RAB9ATP53NFKB1
SCHEMBL9837556 0.83 EPHX1 (0.45) EPHX1SMN1; SMN2RAB9ATP53NFKB1
SCHEMBL10379780 0.81 EPHX1 (0.51) EPHX1SMN1; SMN2RAB9ATP53NFKB1
SCHEMBL27672769 0.81 EPHX1 (0.51) EPHX1SMN1; SMN2RAB9ATP53NFKB1
SCHEMBL9838802 0.77 EPHX1 (0.48) EPHX1SMN1; SMN2RAB9ATP53NFKB1

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