SCHEMBL4854933

SCHEMBL4854933

O=C(NOCCCO)c1cc(Br)c(F)c(F)c1Nc1ccccc1F

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.62
MAP2K2 P36507 3/20 0.55
ABCB11 O95342 1/20 0.47
NQO2 P16083 1/20 0.47
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46

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
SCHEMBL4860298 0.87 MAP2K1 (0.76) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL4851636 0.83 MAP2K1 (0.77) MAP2K1MAP2K2
SCHEMBL4861995 0.81 MAP2K1 (0.62) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL4862032 0.81 MAP2K1 (0.62) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL4854378 0.80 MAP2K1 (0.76) MAP2K1MAP2K2
Benzamide SCHEMBL7052142 0.78 MAP2K1 (0.54) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL7050814 0.78 MAP2K1 (0.59) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL4863510 0.78 MAP2K1 (0.73) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL4861807 0.77 MAP2K1 (0.81) MAP2K1MAP2K2HDAC3HDAC4HDAC1
SCHEMBL1341919 0.76 KDM4E (0.52) MAP2K1MAP2K2

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
US-7411001-B2 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2008-08-12 US claimed
EP-1301472-B1 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER LAMBERT CO (US) 2014-03-26 EP disclosed