SCHEMBL31215307

SCHEMBL31215307

O=C(O)c1cc2c(Cl)c(OCc3ccc(Br)cc3)c(Cl)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHEB Q15382 8/20 0.51
▸ THRA P10827 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ SRD5A2 P31213 3/20 0.47
▸ GRIN1 Q05586 1/20 0.44
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ EIF4A3 P38919 1/20 0.40

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
SCHEMBL31215276 0.90 SRD5A2 (0.58) RHEBTHRATHRBSRD5A2GRIN1
SCHEMBL31215274 0.89 RHEB (0.50) RHEBTHRATHRBSRD5A2GRIN1
SCHEMBL31215290 0.87 THRA (0.56) RHEBTHRATHRBSRD5A2GRIN1
SCHEMBL31215288 0.86 THRA (0.48) RHEBTHRATHRBSRD5A2GRIN1
SCHEMBL31215284 0.86 RHEB (0.47) RHEBTHRATHRBSRD5A2GRIN1
SCHEMBL31215305 0.85 RHEB (0.48) RHEBTHRATHRBSRD5A2GRIN1
SCHEMBL31215289 0.84 RHEB (0.45) RHEBTHRATHRBSRD5A2GRIN1
SCHEMBL31215292 0.83 THRA (0.48) RHEBTHRATHRBSRD5A2GRIN1
SCHEMBL31215309 0.82 SRD5A2 (0.49) RHEBTHRATHRBSRD5A2GRIN1
SCHEMBL31215293 0.81 THRA (0.48) RHEBTHRATHRBSRD5A2GRIN1

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
CN-118894802-A Selective THR beta agonist compound and application thereof 山东第一医科大学(山东省医学科学院) 2024-11-05 — — CN disclosed
Send feedback