SCHEMBL5326299

SCHEMBL5326299

CNS(=O)(=O)c1cc(Oc2c(Cl)cc(N3CC(=O)NC3=O)cc2Cl)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 2/20 0.39
TP53 P04637 2/20 0.39
THRB P10828 3/20 0.36
ALPL P05186 1/20 0.36
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL5330145 0.87 THRB (0.47) THRB
SCHEMBL5326354 0.86 THRB (0.51) L3MBTL1ALDH1A1KMT2ATP53THRB
SCHEMBL5323684 0.86 TSHR (0.40) L3MBTL1ALDH1A1NPSR1KMT2ATHRB
SCHEMBL5328482 0.85 ALDH1A1 (0.52) ALDH1A1KMT2ATHRBPOLBKDM4E
SCHEMBL5327154 0.84 TSHR (0.43) L3MBTL1ALDH1A1NPSR1KMT2ATP53
SCHEMBL5329550 0.83 THRB (0.39) L3MBTL1ALDH1A1NPSR1KMT2ATHRB
SCHEMBL5331463 0.81 TSHR (0.38) ALDH1A1KMT2ATHRBPOLBKDM4E
SCHEMBL5324510 0.81 THRB (0.38) L3MBTL1ALDH1A1NPSR1THRBRAB9A
SCHEMBL5323874 0.80 RORC (0.55) THRB
SCHEMBL5326859 0.78 THRB (0.46) THRB

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