SCHEMBL7052566

SCHEMBL7052566

O=C(NOCCCO)c1cc(F)c(F)cc1Nc1ccc(I)cc1Cl.O=C(NOCCO)c1cc(F)c(F)cc1Nc1ccc(I)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.57
MAP2K2 P36507 4/20 0.55
CYP2C9 P11712 1/20 0.49
RAF1 P04049 1/20 0.49
PDGFRB P09619 1/20 0.49
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
CSNK2A3 Q8NEV1 1/20 0.49
AURKC Q9UQB9 1/20 0.49
CAMK2A Q9UQM7 1/20 0.49
MAP2K5 Q13163 1/20 0.48
EIF2AK1 Q9BQI3 1/20 0.48

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
SCHEMBL4861948 0.98 MAP2K1 (0.59) MAP2K1MAP2K2CYP2C9RAF1PDGFRB
SCHEMBL4857185 0.96 MAP2K1 (0.61) MAP2K1MAP2K2CYP2C9RAF1PDGFRB
SCHEMBL7053100 0.95 MAP2K1 (0.56) MAP2K1MAP2K2CYP2C9RAF1PDGFRB
SCHEMBL4862120 0.93 MAP2K1 (0.58) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4861697 0.91 MAP2K1 (0.57) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL7050589 0.91 MAP2K1 (0.69) MAP2K1MAP2K2CYP2C9MAP2K5EIF2AK1
SCHEMBL4856538 0.90 MAP2K1 (0.56) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL4862843 0.89 MAP2K1 (0.58) MAP2K1MAP2K2CYP2C9RAF1PDGFRB
SCHEMBL4863428 0.88 MAP2K1 (0.72) MAP2K1MAP2K2CYP2C9
SCHEMBL4862749 0.88 MAP2K1 (0.55) 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