SCHEMBL3976827

SCHEMBL3976827

CSCCc1nc2cc(Oc3c(Br)cc(C(=O)NCC(=O)O)cc3Br)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.39
EGLN1 Q9GZT9 4/20 0.39
TSHR P16473 2/20 0.39
RECQL P46063 1/20 0.39
THRA P10827 4/20 0.37
F9 P00740 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAPK10 P53779 1/20 0.33

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
SCHEMBL3982070 0.83 THRA (0.49) THRBTHRAKDM4E
SCHEMBL3978770 0.79 THRA (0.36) THRBTHRAKDM4E
SCHEMBL4295275 0.77 ATM (0.38) THRBEGLN1THRA
SCHEMBL3981285 0.77 EGLN1 (0.38) THRBEGLN1THRA
SCHEMBL3141209 0.71 THRB (0.46) THRBEGLN1THRA
SCHEMBL4299059 0.71 KDM4E (0.37) THRBEGLN1THRAMAPTKDM4E
SCHEMBL3989613 0.70 THRB (0.41) THRBTHRAMAPTKDM4E
SCHEMBL3138206 0.70 THRB (0.42) THRBEGLN1THRA
SCHEMBL4299815 0.70 THRB (0.45) THRBEGLN1THRAMAPTKDM4E
SCHEMBL3137311 0.69 THRB (0.42) THRBEGLN1THRAKDM4ESMN1; SMN2

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 3 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 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