SCHEMBL4523210

SCHEMBL4523210

CCS(=O)(=O)Nc1cc(Cl)cc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
THRB P10828 6/20 0.39
THRA P10827 5/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
GPR139 Q6DWJ6 1/20 0.35
AR P10275 1/20 0.35
NR1H4 Q96RI1 3/20 0.35
EPHX2 P34913 1/20 0.35
PDE5A O76074 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
NPC1 O15118 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
SCHEMBL5119167 0.90 SMN1; SMN2 (0.40) SMN1; SMN2THRBTHRAMEN1KMT2A
SCHEMBL5723586 0.89 EPHX2 (0.33) SMN1; SMN2THRBTHRAMEN1KMT2A
SCHEMBL5119983 0.89 SMN1; SMN2 (0.39) SMN1; SMN2THRBTHRAMEN1KMT2A
SCHEMBL4348053 0.87 THRA (0.52) SMN1; SMN2THRBTHRAMEN1KMT2A
SCHEMBL4929610 0.86 THRA (0.40) SMN1; SMN2THRBTHRAMEN1KMT2A
SCHEMBL4354050 0.86 THRB (0.50) SMN1; SMN2THRBTHRAMEN1KMT2A
SCHEMBL5115592 0.86 SMN1; SMN2 (0.38) SMN1; SMN2THRBTHRAMEN1KMT2A
SCHEMBL5120143 0.86 THRA (0.42) SMN1; SMN2THRBTHRAMEN1KMT2A
SCHEMBL4931530 0.86 SMN1; SMN2 (0.43) SMN1; SMN2THRBTHRAMEN1KMT2A
SCHEMBL4932888 0.85 SMN1; SMN2 (0.39) SMN1; SMN2THRBTHRAMEN1KMT2A

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