SCHEMBL4757085

SCHEMBL4757085

O=C(O)CNC(=O)c1nc(Cl)c2cc(Oc3ccccc3)c(Oc3ccccc3)c(I)c2c1O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 14/20 0.61
THRA P10827 9/20 0.61
THRB P10828 9/20 0.61
BBOX1 O75936 2/20 0.55
FTO Q9C0B1 2/20 0.55
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
ASPH Q12797 1/20 0.50
KDM8 Q8N371 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
SCHEMBL4409796 0.87 EGLN1 (0.64) EGLN1THRATHRBBBOX1FTO
SCHEMBL522602 0.83 EGLN1 (0.78) EGLN1THRATHRBBBOX1FTO
SCHEMBL4417170 0.83 THRA (0.70) EGLN1THRATHRBBBOX1FTO
SCHEMBL5318629 0.80 EGLN1 (0.66) EGLN1THRATHRBBBOX1FTO
SCHEMBL3924454 0.78 EGLN1 (0.65) EGLN1THRATHRBBBOX1FTO
SCHEMBL523521 0.76 THRA (0.91) EGLN1THRATHRBBBOX1FTO
SCHEMBL522940 0.76 THRA (1.00) EGLN1THRATHRBBBOX1FTO
SCHEMBL4411746 0.75 EGLN1 (0.61) EGLN1THRATHRBBBOX1FTO
SCHEMBL1841936 0.75 EGLN1 (0.56) EGLN1THRATHRBBBOX1FTO
SCHEMBL5325511 0.75 EGLN1 (0.61) EGLN1THRATHRBBBOX1FTO

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 4 patents. 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
EP-1919463-A2 USE OF HIF 1ALFA MODULATORS FOR TREATMENT OF CANCER FIBROGEN, INC. (US) 2008-05-14 EP disclosed
WO-2007146425-A2 COMPOUNDS AND METHODS FOR TREATMENT OF CHEMOTHERAPY-INDUCED ANEMIA FIBROGEN, INC. (US) 2007-12-21 WO disclosed
WO-2006138511-A2 USE OF HIF 1ALFA MODULATORS FOR TREATMENT OF CANCER FIBROGEN, INC. (US) 2006-12-28 WO disclosed