SCHEMBL7053026

SCHEMBL7053026

Cc1cc(I)ccc1Nc1cc(F)c(F)cc1C(=O)NOCCCCO

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.59
MAP2K2 P36507 3/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAP2K5 Q13163 1/20 0.52
EIF2AK1 Q9BQI3 1/20 0.52
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47

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
SCHEMBL4864015 0.97 MAP2K1 (0.60) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4860487 0.93 MAP2K1 (0.68) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4860854 0.89 MAP2K1 (0.56) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4857969 0.89 MAP2K1 (0.56) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4862533 0.88 MAP2K1 (0.57) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL7053100 0.88 MAP2K1 (0.56) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL4863428 0.87 MAP2K1 (0.72) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL7056183 0.87 MEN1 (0.70) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4856709 0.85 MAP2K1 (0.67) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL4861607 0.85 MAP2K1 (0.54) 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