SCHEMBL4757876

SCHEMBL4757876

O=C(O)CNC(=O)c1nc(Cl)c2c(-c3ccccc3)ccc(I)c2c1O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 19/20 0.59
FTO Q9C0B1 3/20 0.59
BBOX1 O75936 1/20 0.59
KDM5B Q9UGL1 2/20 0.49
KDM2A Q9Y2K7 2/20 0.49
KDM6B O15054 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
KDM3A Q9Y4C1 1/20 0.49
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
EGLN3 Q9H6Z9 1/20 0.44

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
SCHEMBL5325511 0.83 EGLN1 (0.61) EGLN1FTOBBOX1KDM5BKDM2A
SCHEMBL523235 0.82 EGLN1 (0.70) EGLN1FTOBBOX1KDM5BKDM2A
SCHEMBL522718 0.81 EGLN1 (0.69) EGLN1FTOBBOX1KDM5BKDM2A
SCHEMBL4757084 0.81 EGLN1 (0.61) EGLN1FTOBBOX1KDM5BKDM2A
SCHEMBL5027666 0.79 EGLN1 (0.68) EGLN1FTOBBOX1KDM6BTHRA
SCHEMBL5315453 0.79 EGLN1 (0.61) EGLN1FTOBBOX1KDM5BKDM2A
SCHEMBL4411746 0.76 EGLN1 (0.61) EGLN1FTOBBOX1THRATHRB
SCHEMBL4407707 0.76 EGLN1 (0.54) EGLN1FTOBBOX1KDM5BKDM2A
SCHEMBL522241 0.75 EGLN1 (0.57) EGLN1FTOBBOX1KDM5BKDM2A
SCHEMBL29390250 0.75 EGLN1 (1.00) EGLN1FTOBBOX1THRATHRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009002533-A1 INFLAMMATORY BOWEL DISEASE THERAPIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2008-12-31 WO disclosed