SCHEMBL4529353

SCHEMBL4529353

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 1/20 0.32
POLB P06746 1/20 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
CNR2 P34972 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL4529355 0.89 MEN1 (0.36) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL3137471 0.83 THRB (0.53) MEN1KMT2AHDAC6POLBALOX5AP
SCHEMBL5136428 0.79 MEN1 (0.37) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL3136227 0.70 HDAC1 (0.38) MEN1KMT2ALMNAHDAC1HDAC8
SCHEMBL3142062 0.66 THRA (0.38) THRATHRB
SCHEMBL29016571 0.65 CNR2 (0.41) MEN1KMT2ALMNATSHRHDAC6
SCHEMBL3137299 0.65 THRA (0.39) MEN1KMT2APOLBTHRATHRB
SCHEMBL29016550 0.64 RORC (0.40) LMNA
SCHEMBL29016631 0.63 RORC (0.46) CNR2
SCHEMBL29016642 0.61 MEN1 (0.41) MEN1KMT2ASMN1; SMN2POLBCNR2

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