SCHEMBL7052569

SCHEMBL7052569

Cc1cc(I)ccc1Nc1c(C(=O)NOCCCCO)cc(Cl)c(F)c1F

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAP2K2 P36507 1/20 0.53
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50

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
SCHEMBL4854971 0.97 MAP2K1 (0.62) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL4854581 0.93 MAP2K1 (0.61) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL7053952 0.91 MAP2K1 (0.62) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL7056183 0.90 MEN1 (0.70) MAP2K1MEN1KMT2ATDP1MAP2K2
Benzamide SCHEMBL7053687 0.90 MAP2K1 (0.54) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL4857428 0.89 MEN1 (0.60) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL7050814 0.89 MAP2K1 (0.59) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL4863745 0.87 MEN1 (0.71) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL4861756 0.87 MAP2K1 (0.76) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL4864347 0.87 MEN1 (0.58) 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