SCHEMBL5328482

SCHEMBL5328482

COc1ccc(Oc2c(Cl)cc(N3CC(=O)NC3=O)cc2Cl)cc1S(=O)(=O)N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 3/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
TSHR P16473 5/20 0.49
KMT2A Q03164 3/20 0.47
THRB P10828 2/20 0.47
PKM P14618 1/20 0.47
GAA P10253 2/20 0.47
NPBWR1 P48145 1/20 0.46
LMNA P02545 2/20 0.45

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
SCHEMBL5331464 0.86 THRB (0.62) ALDH1A1TSHRKMT2ATHRB
SCHEMBL5326299 0.85 L3MBTL1 (0.49) ALDH1A1KDM4EPOLBHPGDRAB9A
SCHEMBL5323684 0.85 TSHR (0.40) ALDH1A1KDM4EPOLBHPGDRAB9A
SCHEMBL5326354 0.84 THRB (0.51) ALDH1A1KMT2ATHRBPKM
SCHEMBL5331463 0.84 TSHR (0.38) ALDH1A1KDM4EPOLBHPGDRAB9A
SCHEMBL5327154 0.83 TSHR (0.43) ALDH1A1KDM4EPOLBRAB9ATSHR
SCHEMBL5329550 0.82 THRB (0.39) ALDH1A1KDM4EPOLBHPGDRAB9A
SCHEMBL5330286 0.81 THRB (0.49) ALDH1A1KDM4EPOLBHPGDKMT2A
SCHEMBL5324510 0.80 THRB (0.38) ALDH1A1RAB9ATHRBNPBWR1LMNA
SCHEMBL5323874 0.79 RORC (0.55) 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 1 patent. 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 disclosed