SCHEMBL7053952

SCHEMBL7053952

O=C(NOCCCCO)c1cc(Cl)c(F)c(F)c1Nc1ccc(I)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.62
MAP2K2 P36507 2/20 0.56
RAF1 P04049 1/20 0.55
PDGFRB P09619 1/20 0.55
CSNK2A2 P19784 1/20 0.55
CSNK2B P67870 1/20 0.55
CSNK2A1 P68400 1/20 0.55
CSNK2A3 Q8NEV1 1/20 0.55
AURKC Q9UQB9 1/20 0.55
CAMK2A Q9UQM7 1/20 0.55
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52

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
SCHEMBL7051232 0.93 MAP2K1 (0.63) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4858823 0.93 MAP2K1 (0.64) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7052569 0.91 MAP2K1 (0.59) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL4859788 0.90 MAP2K1 (0.67) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4861756 0.90 MAP2K1 (0.76) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL7051631 0.89 MAP2K1 (0.78) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4861995 0.88 MAP2K1 (0.62) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4854971 0.88 MAP2K1 (0.62) MAP2K1MAP2K2
SCHEMBL7055347 0.88 MAP2K1 (0.75) MAP2K1MAP2K2
SCHEMBL4856964 0.88 MAP2K1 (0.57) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301472-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2003-04-16 EP disclosed
WO-2002006213-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-01-24 WO disclosed