SCHEMBL4757079

SCHEMBL4757079

Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc4c(O)c(C(=O)NCC(=O)O)ncc4c3)cc2)cc1.O=C(O)CNC(=O)c1ncc2cc(Oc3ccc([N+](=O)[O-])cc3)ccc2c1O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 15/20 0.59
EGLN2 Q96KS0 14/20 0.49
BBOX1 O75936 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ASPH Q12797 1/20 0.46
KDM8 Q8N371 1/20 0.46
FTO Q9C0B1 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL522413 0.94 EGLN1 (0.67) EGLN1EGLN2BBOX1THRATHRB
SCHEMBL5072578 0.88 EGLN1 (0.67) EGLN1EGLN2BBOX1THRATHRB
SCHEMBL523234 0.87 EGLN1 (0.77) EGLN1EGLN2THRATHRB
SCHEMBL523081 0.86 EGLN1 (0.77) EGLN1EGLN2BBOX1THRATHRB
SCHEMBL4757894 0.84 EGLN1 (0.70) EGLN1EGLN2BBOX1THRATHRB
SCHEMBL522016 0.82 EGLN1 (0.74) EGLN1EGLN2BBOX1THRATHRB
SCHEMBL523678 0.80 EGLN1 (0.58) EGLN1EGLN2THRATHRB
SCHEMBL4757892 0.79 EGLN1 (0.61) EGLN1EGLN2BBOX1THRATHRB
SCHEMBL5070912 0.78 EGLN1 (0.68) EGLN1EGLN2BBOX1THRATHRB
SCHEMBL523426 0.77 GFER (0.46) EGLN1EGLN2LMNAMAPTKMT2A

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