SCHEMBL2565720

SCHEMBL2565720

c1ccc2c(-c3coc4ccccc34)occ2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
MIF P14174 1/20 0.37
MAOB P27338 5/20 0.37
MAOA P21397 2/20 0.37
PTPN1 P18031 1/20 0.37
NISCH Q9Y2I1 1/20 0.36
GSK3B P49841 2/20 0.35
CDK2 P24941 1/20 0.35
GRK2 P25098 1/20 0.35
FTO Q9C0B1 1/20 0.34
IL4I1 Q96RQ9 1/20 0.34
CA2 P00918 1/20 0.33
PIN1 Q13526 1/20 0.33
PDGFRB P09619 1/20 0.32
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32

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
SCHEMBL2490828 0.79 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31192288 0.74 ALDH1A1 (0.42) MAOANISCH
SCHEMBL7321475 0.74 GRK2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11442831 0.74 ALDH1A1 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL29653978 0.74 GRK2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28475533 0.73 ALDH1A1 (0.39)
SCHEMBL4585151 0.71 ALOX5 (0.39) CA2
SCHEMBL1310425 0.71 PIN1 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1311074 0.70 MAOB (0.54) MIFMAOBMAOAPTPN1NISCH
SCHEMBL21861276 0.69 GRK2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102272971-A Light-emitting element material and light-emitting element 2011-12-07 CN disclosed
EP-2383813-A1 LIGHT-EMITTING ELEMENT MATERIAL AND LIGHT-EMITTING ELEMENT Toray Industries, Inc. (JP) 2011-11-02 EP disclosed