SCHEMBL29935960

SCHEMBL29935960

BrC1Cc2ccccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.42
MAOA P21397 6/20 0.42
AOC2 O75106 5/20 0.42
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
DAO P14920 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NISCH Q9Y2I1 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
AR P10275 1/20 0.37
CYP19A1 P11511 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 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
SCHEMBL5722720 1.00 MAOB (0.42) MAOBMAOAAOC2CHRM2CHRM4
SCHEMBL10698516 0.80 MAOB (0.39) MAOBMAOAAOC2CHRM2CHRM4
SCHEMBL2713231 0.80 MAOA (0.43) MAOBMAOAAOC2CHRM2CHRM4
SCHEMBL5572317 0.77 MAOA (0.38) MAOBMAOAAOC2CHRM2CHRM4
SCHEMBL31015921 0.77 CHRM2 (0.40) MAOBMAOAAOC2CHRM2CHRM4
SCHEMBL14837286 0.77 TSHR (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL22474472 0.76 CHRM2 (0.42) MAOBMAOAAOC2CHRM2CHRM4
SCHEMBL11215570 0.76 HSP90AB1 (0.44) MAOBMAOAAOC2CHRM2CHRM4
SCHEMBL5779685 0.74 MAOB (0.41) MAOBMAOAAOC2CHRM2CHRM4
SCHEMBL3663270 0.74 MAOA (0.45) MAOBMAOAAOC2CHRM2CHRM4

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-110452201-B Synthetic method of benzofuran heterocyclic sulfonyl chloride 泰州职业技术学院 2022-09-23 CN disclosed