SCHEMBL3989613

SCHEMBL3989613

CC(C)Cc1nc2cc(Oc3c(Br)cc(OCC(=O)O)cc3Br)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.41
THRA P10827 10/20 0.41
PDE2A O00408 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
DPP4 P27487 2/20 0.36

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
SCHEMBL3979678 0.83 THRA (0.56) THRBTHRAMAPT
SCHEMBL4533982 0.82 THRA (0.38) THRBTHRAPDE2APDE3BPDE3A
SCHEMBL3981701 0.82 THRA (0.39) THRBTHRAKDM4EMAPT
SCHEMBL3985944 0.82 THRA (0.39) THRBTHRAKDM4EMAPT
SCHEMBL3981706 0.82 THRA (0.39) THRBTHRAKDM4EMAPT
SCHEMBL3975161 0.82 THRA (0.43) THRBTHRAKDM4EMAPT
SCHEMBL4298149 0.79 THRA (0.46) THRBTHRAKDM4EMAPT
SCHEMBL3978301 0.78 THRB (0.37) THRBTHRAPDE2APDE3BPDE3A
SCHEMBL6515823 0.77 KDM4E (0.48) THRBTHRAKDM4E
SCHEMBL3984721 0.76 KMT2A (0.38) THRBTHRAPDE2APDE3BPDE3A

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-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO claimed
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO disclosed
EP-2024336-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2009-02-18 EP disclosed
WO-2007128492-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2007-11-15 WO disclosed