SCHEMBL28327596

SCHEMBL28327596

ClC1Cc2ccccc2OPO1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.33
MAOB P27338 6/20 0.33
SIGMAR1 Q99720 1/20 0.31
AOC2 O75106 5/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
DAO P14920 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
PNMT P11086 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
SCHEMBL5779685 0.74 MAOB (0.41) MAOAMAOBAOC2CHRM2CHRM4
SCHEMBL29538767 0.69 MAOA (0.61) MAOAMAOBTSHR
SCHEMBL3889563 0.69 MAOA (0.61) MAOAMAOBTSHR
SCHEMBL9862047 0.66 MAOA (0.39) MAOAMAOB
SCHEMBL10744654 0.63 MAOB (0.42) MAOAMAOBSIGMAR1AOC2CHRM2
SCHEMBL30058027 0.62 ABCG2 (0.40) MAOAMAOBTSHR
SCHEMBL2583969 0.62
SCHEMBL10736602 0.62 HRH3 (0.49) MAOAMAOBSIGMAR1AOC2CHRM2
SCHEMBL9345868 0.60 MAOA (0.34) MAOAMAOB
SCHEMBL11349974 0.60

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-110317237-A A kind of α-selenium-ribonucleoside triphosphote synthesis and its high specific nucleic acid enzymatic polymerization and its application 黄震 2019-10-11 CN disclosed