SCHEMBL9837890

SCHEMBL9837890

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
EPHX2 P34913 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TSHR P16473 3/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CCR1 P32246 1/20 0.37
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL9837592 0.99 EPHX1 (0.47) EPHX1RAB9AGAASMN1; SMN2KMT2A
SCHEMBL9839052 0.85 EPHX1 (0.48) EPHX1RAB9AGAASMN1; SMN2KMT2A
SCHEMBL9838823 0.84 EPHX1 (0.50) EPHX1RAB9AGAASMN1; SMN2KMT2A
SCHEMBL9838920 0.83 EPHX1 (0.46) EPHX1RAB9AGAASMN1; SMN2KMT2A
SCHEMBL9837860 0.83 EPHX1 (0.46) EPHX1RAB9AGAASMN1; SMN2KMT2A
SCHEMBL9837874 0.82 EPHX1 (0.48) EPHX1RAB9AGAASMN1; SMN2KMT2A
SCHEMBL9838802 0.82 EPHX1 (0.48) EPHX1RAB9AGAASMN1; SMN2KMT2A
SCHEMBL9837574 0.81 EPHX1 (0.50) EPHX1RAB9AGAASMN1; SMN2KMT2A
SCHEMBL10378518 0.81 EPHX1 (0.50) EPHX1RAB9AGAASMN1; SMN2KMT2A
SCHEMBL27691760 0.81 EPHX1 (0.50) EPHX1RAB9AGAASMN1; SMN2KMT2A

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