SCHEMBL3702751

SCHEMBL3702751

COc1ccc(Oc2c(Cl)cc(N)cc2Cl)cc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 7/20 0.45
▸ THRA P10827 5/20 0.45
▸ RORC P51449 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ HDAC4 P56524 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ DHPS P49366 1/20 0.38

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
SCHEMBL12312864 0.84 THRB (0.52) THRBTHRARORCL3MBTL1KDM4E
SCHEMBL12312860 0.82 THRB (0.50) THRBTHRARORCL3MBTL1KDM4E
SCHEMBL12312737 0.79 THRB (0.61) THRBTHRARORC
SCHEMBL22959367 0.79 THRB (0.49) THRBTHRARORCL3MBTL1ALDH1A1
SCHEMBL18932876 0.78 THRB (0.45) THRBRORCKDM4EDHPSALDH1A1
SCHEMBL5326111 0.78 THRB (0.39) THRBTHRARORCHDAC4HDAC2
SCHEMBL29572032 0.76 KDM4E (0.64) L3MBTL1KDM4EMAPK1RECQLHDAC4
SCHEMBL835688 0.76 KDM4E (0.64) L3MBTL1KDM4EMAPK1RECQLHDAC4
SCHEMBL5326116 0.75 THRB (0.39) THRBTHRARORCL3MBTL1KDM4E
SCHEMBL5324856 0.75 ALDH1A1 (0.45) THRBTHRARORCALDH1A1LMNA

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-2010086878-A2 THYROID RECEPTOR MODULATORS CADILA HEALTHCARE LIMITED (IN) 2010-08-05 — — WO disclosed
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