SCHEMBL14099016

SCHEMBL14099016

CC(C)(C)c1ccc(OCC(=O)NCc2ccc(N)c(F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
EPHX2 P34913 3/20 0.52
NR1H4 Q96RI1 3/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 4/20 0.51
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
RECQL P46063 1/20 0.47
POLB P06746 1/20 0.46
CYP2C19 P33261 1/20 0.46
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46

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
SCHEMBL14099022 0.90 GAA (0.49) MAPK1EPHX2NR1H4GAAALDH1A1
SCHEMBL14099146 0.83 EPHX2 (0.63) MAPK1EPHX2NR1H4GAAALDH1A1
SCHEMBL5177709 0.83 GAA (0.74) MAPK1EPHX2NR1H4GAAALDH1A1
SCHEMBL4680698 0.82 TRPV1 (0.67)
SCHEMBL2955596 0.82 EPHX2 (0.56) EPHX2NR1H4
SCHEMBL14532539 0.79 GAA (0.47) MAPK1EPHX2NR1H4GAAALDH1A1
SCHEMBL4641693 0.79 MAPK1 (0.50) MAPK1
SCHEMBL3567670 0.78 KMT2A (0.73) MAPK1EPHX2NR1H4GAAALDH1A1
SCHEMBL14532541 0.78 MAPK1 (0.48) MAPK1EPHX2NR1H4GAAALDH1A1
SCHEMBL3928617 0.77 ALDH1A1 (0.59) MAPK1EPHX2NR1H4GAAALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824837-B1 SUBSTITUTED N-SULFONYLAMINOBENZYL-2-PHENOXY ACETAMIDE COMPOUNDS PFIZER (US) 2008-08-13 EP disclosed