SCHEMBL5331463

SCHEMBL5331463

COc1ccc(Oc2c(Cl)cc(N3CC(=O)NC3=O)cc2Cl)cc1S(=O)(=O)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
THRB P10828 6/20 0.37
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRA P10827 1/20 0.34

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
SCHEMBL5327964 0.88 THRB (0.47) THRBTHRA
SCHEMBL5323684 0.86 TSHR (0.40) TSHRTHRBKMT2ALMNAMAPK1
SCHEMBL5326354 0.84 THRB (0.51) MCOLN3THRBKMT2ANPC1MEN1
SCHEMBL5327154 0.84 TSHR (0.43) TSHRKMT2AMEN1LMNAMAPK1
SCHEMBL5328482 0.84 ALDH1A1 (0.52) TSHRTHRBKMT2ALMNAALDH1A1
SCHEMBL5326299 0.81 L3MBTL1 (0.49) THRBKMT2AMEN1LMNAALDH1A1
SCHEMBL5329550 0.77 THRB (0.39) THRBKMT2ANPC1MEN1LMNA
SCHEMBL5328999 0.76 THRB (0.52) THRBKMT2ANPC1MEN1ALDH1A1
SCHEMBL5324510 0.76 THRB (0.38) THRBLMNAALDH1A1RAB9ATDP1
SCHEMBL5323874 0.75 RORC (0.55) THRBTHRA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007132475-A1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2007-11-22 WO claimed
WO-2007132475-A1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2007-11-22 WO disclosed