SCHEMBL4529355

SCHEMBL4529355

CC(C)Cc1nc2ccc(Cc3c(Br)cc(O)cc3Br)cc2n1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
CNR2 P34972 2/20 0.32
ALOX5AP P20292 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
FFAR1 O14842 1/20 0.31
PPARA Q07869 1/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL4529353 0.89 MEN1 (0.34) MEN1KMT2ATSHRSMN1; SMN2POLB
SCHEMBL3137471 0.83 THRB (0.53) MEN1KMT2APOLBHDAC6THRA
SCHEMBL29016571 0.72 CNR2 (0.41) MEN1KMT2ATSHRPOLBLMNA
SCHEMBL3136227 0.70 HDAC1 (0.38) MEN1KMT2ALMNAHDAC1HDAC8
SCHEMBL5136428 0.67 MEN1 (0.37) MEN1KMT2ATSHRSMN1; SMN2POLB
SCHEMBL3142062 0.66 THRA (0.38) THRATHRBPDE10A
SCHEMBL3137299 0.65 THRA (0.39) MEN1KMT2APOLBTHRATHRB
SCHEMBL29016631 0.63 RORC (0.46) CNR2
SCHEMBL29016550 0.62 RORC (0.40) LMNA
SCHEMBL5077547 0.62 KDM4E (0.45) MEN1KMT2ATSHRSMN1; SMN2POLB

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-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO disclosed