SCHEMBL9837574

SCHEMBL9837574

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 1/20 0.45
TSHR P16473 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
EPHX2 P34913 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ALDH1A1 P00352 2/20 0.42
YAP1 P46937 1/20 0.42
TEAD4 Q15561 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 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
SCHEMBL10378518 0.86 EPHX1 (0.50) EPHX1GAARAB9ATSHRSMN1; SMN2
SCHEMBL9838823 0.86 EPHX1 (0.50) EPHX1GAARAB9ALMNATSHR
SCHEMBL27691760 0.86 EPHX1 (0.50) EPHX1GAARAB9ATSHRSMN1; SMN2
SCHEMBL9839052 0.84 EPHX1 (0.48) EPHX1GAARAB9ALMNATSHR
SCHEMBL27691912 0.84 EPHX1 (0.48) EPHX1GAARAB9ATSHRSMN1; SMN2
SCHEMBL10379789 0.84 EPHX1 (0.48) EPHX1GAARAB9ATSHRSMN1; SMN2
SCHEMBL9837874 0.84 EPHX1 (0.48) EPHX1GAARAB9ALMNATSHR
SCHEMBL9838802 0.84 EPHX1 (0.48) EPHX1GAARAB9ALMNATSHR
SCHEMBL9837592 0.83 EPHX1 (0.47) EPHX1GAARAB9ALMNATSHR
SCHEMBL9837860 0.82 EPHX1 (0.46) EPHX1GAARAB9ATSHRSMN1; 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