SCHEMBL7054014

SCHEMBL7054014

Cc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NOCC(C)(C)O.Cc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NOCC(C)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.50
KCNH2 Q12809 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAP2K2 P36507 4/20 0.42
MAPK1 P28482 2/20 0.42
BRAF P15056 1/20 0.42
MAP2K5 Q13163 1/20 0.42

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
SCHEMBL4862262 0.93 MAP2K1 (0.56) MAP2K1KCNH2MEN1KMT2ATDP1
SCHEMBL4859425 0.93 MAP2K1 (0.56) MAP2K1KCNH2MEN1KMT2ATDP1
SCHEMBL7054273 0.90 MEN1 (0.47) MAP2K1KCNH2MEN1KMT2ATDP1
SCHEMBL4854618 0.86 MAP2K1 (0.56) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL4861059 0.85 MAP2K1 (0.55) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL4861383 0.84 MAP2K1 (0.56) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL4863415 0.84 MAP2K1 (0.49) MAP2K1KCNH2MAP2K2MAPK1BRAF
SCHEMBL4860341 0.84 MAP2K1 (0.58) MAP2K1KCNH2MAP2K2MAPK1BRAF
SCHEMBL4857188 0.84 MAP2K1 (0.58) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL4862268 0.83 MAP2K1 (0.53) MAP2K1MEN1KMT2ATDP1MAP2K2

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