SCHEMBL7050179

SCHEMBL7050179

COCCONC(=O)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1C.Cc1cc(I)ccc1Nc1c(C(=O)NOCC(O)CN2CCOCC2)cc(Br)c(F)c1F

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.56
MAP2K2 P36507 4/20 0.56
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK1 P28482 2/20 0.43
MAP2K5 Q13163 2/20 0.43
BRAF P15056 1/20 0.43
PIM1 P11309 1/20 0.41
CAMK2B Q13554 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40

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
SCHEMBL4864335 0.96 MAP2K1 (0.61) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4862353 0.89 MEN1 (0.62) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4856556 0.88 MAP2K1 (0.73) MAP2K1MAP2K2MAPK1MAP2K5BRAF
SCHEMBL5940451 0.88 MEN1 (0.56) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4853558 0.87 MAP2K1 (0.61) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4861198 0.87 MEN1 (0.53) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL7056268 0.85 MAP2K1 (0.46) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4857365 0.85 MAP2K1 (0.70) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL7052056 0.85 MAP2K1 (0.79) MAP2K1MAP2K2MAPK1MAP2K5BRAF
SCHEMBL4864132 0.85 MAP2K1 (0.61) MAP2K1MAP2K2MEN1KMT2ATDP1

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