SCHEMBL9837874

SCHEMBL9837874

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
TSHR P16473 4/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
EPHX2 P34913 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9838920 0.99 EPHX1 (0.46) EPHX1GAARAB9ATSHRKMT2A
SCHEMBL9838823 0.89 EPHX1 (0.50) EPHX1GAARAB9ATSHRKMT2A
SCHEMBL9839052 0.88 EPHX1 (0.48) EPHX1GAARAB9ATSHRKMT2A
SCHEMBL27691912 0.87 EPHX1 (0.48) EPHX1GAARAB9ATSHRKMT2A
SCHEMBL10379789 0.87 EPHX1 (0.48) EPHX1GAARAB9ATSHRKMT2A
SCHEMBL9838802 0.84 EPHX1 (0.48) EPHX1GAARAB9ATSHRKMT2A
SCHEMBL10378518 0.84 EPHX1 (0.50) EPHX1GAARAB9ATSHRKMT2A
SCHEMBL27691760 0.84 EPHX1 (0.50) EPHX1GAARAB9ATSHRKMT2A
SCHEMBL9837574 0.84 EPHX1 (0.50) EPHX1GAARAB9ATSHRKMT2A
SCHEMBL9837592 0.83 EPHX1 (0.47) EPHX1GAARAB9ATSHRKMT2A

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