SCHEMBL4537906

SCHEMBL4537906

CC(=O)NCc1cccc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 2/20 0.49
THRA P10827 7/20 0.47
THRB P10828 7/20 0.47
PDE5A O76074 1/20 0.46
ESR1 P03372 1/20 0.46
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
NR3C2 P08235 1/20 0.46
AR P10275 1/20 0.46
ALDH1A1 P00352 3/20 0.44
NR1H4 Q96RI1 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL4361817 0.86 THRA (0.52) MEN1KMT2ASMN1; SMN2HPGDLMNA
SCHEMBL4354874 0.83 THRA (0.53) MEN1KMT2ASMN1; SMN2HPGDLMNA
SCHEMBL4349690 0.83 THRA (0.64) MEN1KMT2ASMN1; SMN2HPGDLMNA
SCHEMBL4540037 0.82 THRA (0.69) MEN1KMT2ASMN1; SMN2HPGDLMNA
SCHEMBL4349556 0.82 THRA (0.52) MEN1KMT2ASMN1; SMN2HPGDLMNA
SCHEMBL4356831 0.80 THRA (0.58) MEN1KMT2ASMN1; SMN2HPGDLMNA
SCHEMBL4351576 0.80 THRA (0.53) MEN1KMT2ASMN1; SMN2THRATHRB
SCHEMBL4354704 0.80 THRA (0.50) MEN1KMT2ASMN1; SMN2HPGDLMNA
SCHEMBL4348053 0.79 THRA (0.52) MEN1KMT2ASMN1; SMN2HPGDLMNA
SCHEMBL4350209 0.79 SENP5 (0.52) MEN1KMT2ASMN1; SMN2HPGDLMNA

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 claimed