SCHEMBL31499294

SCHEMBL31499294

O=S(OCCc1ccc(Br)cc1)OCCc1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.45
HTR2A P28223 1/20 0.45
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
IDO1 P14902 2/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
COPS5 Q92905 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
SCHEMBL8158322 0.78 CA1 (0.48) TAAR1HTR2AIDO1FFAR1GLA
SCHEMBL2515837 0.75 TAAR1 (0.54) TAAR1HTR2AMAOAMAOBIDO1
SCHEMBL517859 0.71 TAAR1 (0.50) TAAR1HTR2AMAOAMAOBIDO1
SCHEMBL28459251 0.71 TAAR1 (0.50) TAAR1HTR2AMAOAMAOBIDO1
SCHEMBL626076 0.71 TAAR1 (0.68) TAAR1HTR2AIDO1POLBCTDSP1
SCHEMBL28428894 0.71 TAAR1 (0.45) TAAR1HTR2AMAOAMAOBIDO1
SCHEMBL12764315 0.71 TAAR1 (0.45) TAAR1HTR2AMAOAMAOBIDO1
SCHEMBL16314133 0.71 TAAR1 (0.45) TAAR1HTR2AMAOAMAOBIDO1
SCHEMBL4408254 0.71 TAAR1 (0.50) TAAR1HTR2AMAOAMAOBIDO1
SCHEMBL13738265 0.71 TAAR1 (0.45) TAAR1HTR2AMAOAMAOBIDO1

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-119504513-A Synthesis method of sulfite compound 国网安徽省电力有限公司电力科学研究院 2025-02-25 CN disclosed