SCHEMBL7051618

SCHEMBL7051618

Cc1cc(I)ccc1Nc1cc(F)c(Br)cc1C(=O)NOCC(O)CN1CCOCC1.Cc1cc(I)ccc1Nc1cc(F)c(Br)cc1C(=O)NOCC(O)COc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 1/20 0.44
MAP2K1 Q02750 1/20 0.44
ABCB1 P08183 9/20 0.43
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 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
SCHEMBL4862354 0.93 MAP2K1 (0.47) MAP2K2MAP2K1ABCB1KMT2AMEN1
SCHEMBL4853367 0.90 MAP2K1 (0.52) MAP2K2MAP2K1KMT2AMEN1TDP1
SCHEMBL4860576 0.88 MEN1 (0.47) MAP2K2MAP2K1ABCB1KMT2AMEN1
SCHEMBL4863043 0.86 MAP2K1 (0.56) MAP2K2MAP2K1MAPK1
SCHEMBL4861273 0.85 MEN1 (0.49) MAP2K2MAP2K1KMT2AMEN1TDP1
SCHEMBL7051395 0.85 MAP2K1 (0.51) MAP2K2MAP2K1MAPK1
SCHEMBL4862967 0.84 MAP2K1 (0.47) MAP2K2MAP2K1ABCB1KMT2AMAPK1
SCHEMBL4862073 0.84 MEN1 (0.44) MAP2K2MAP2K1ABCB1KMT2AMEN1
SCHEMBL4864335 0.83 MAP2K1 (0.61) MAP2K2MAP2K1ABCB1KMT2AMEN1
SCHEMBL4856739 0.83 MAP2K1 (0.61) MAP2K2MAP2K1MAPK1

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