SCHEMBL30812017

SCHEMBL30812017

CS(=O)(=O)Cc1ccc(Oc2cccc(O)c2)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
OPRK1 P41145 1/20 0.39
PTPN1 P18031 1/20 0.38
BRD4 O60885 1/20 0.38
TTR P02766 1/20 0.38
EPAS1 Q99814 1/20 0.37
CYP3A4 P08684 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
APP P05067 1/20 0.37
F2 P00734 1/20 0.36
POLB P06746 1/20 0.36
P2RX4 Q99571 1/20 0.36

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
SCHEMBL27381068 1.00 THRA (0.46) THRATHRBOPRK1PTPN1BRD4
SCHEMBL27381360 0.89 THRA (0.46) THRATHRBOPRK1TTREPAS1
SCHEMBL30812165 0.89 THRA (0.46) THRATHRBOPRK1TTREPAS1
SCHEMBL21191011 0.85 BRD4 (0.48) THRATHRBPTPN1BRD4TTR
SCHEMBL30812137 0.83 MAOB (0.47) SPHK1
SCHEMBL27381041 0.83 MAOB (0.47) SPHK1
SCHEMBL21191065 0.79 BRD4 (0.54) BRD4P2RX4
SCHEMBL27381541 0.78 EPAS1 (0.46) THRATHRBBRD4EPAS1CYP3A4
SCHEMBL21190854 0.77 BRD4 (0.50) PTPN1BRD4EPAS1
SCHEMBL27381706 0.75 ACHE (0.46) THRATHRBCYP3A4POLB

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-2024054956-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 WO disclosed