SCHEMBL8779744

SCHEMBL8779744

ClCSc1c(Br)cccc1Br

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL31378718 0.75 HTR7 (0.52) HTR7MAOAMAOBALDH1A1TAAR1
SCHEMBL9296265 0.75 HTR7 (0.52) HTR7MAOAMAOBALDH1A1TAAR1
SCHEMBL11765233 0.74 CYP3A4 (0.38)
SCHEMBL28443493 0.71 ALDH1A1 (0.36) ALDH1A1
SCHEMBL1812226 0.71 ALDH1A1 (0.36) ALDH1A1
SCHEMBL28941890 0.69 MEN1 (0.36) HTR7MAOAMAOBALDH1A1
SCHEMBL4762986 0.68 MEN1 (0.32)
SCHEMBL28443991 0.67 ALDH1A1 (0.39) HTR7MAOAMAOBALDH1A1
SCHEMBL1241666 0.67 L3MBTL1 (0.37) ALDH1A1TAAR1
SCHEMBL19642771 0.64 NOS3 (0.32) HTR7MAOAMAOB

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
EP-0770599-A1 PROCESS FOR THE PREPARATION OF AROMATIC OR HETEROAROMATIC SULFONYL HALIDES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-05-02 EP disclosed