SCHEMBL10444730

SCHEMBL10444730

COc1ccc(Sc2cccc3c2C(=O)c2c(Sc4ccc(OC)cc4N)cccc2C3=O)c(N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.51
▸ SLC6A4 P31645 2/20 0.51
▸ SLC6A3 Q01959 2/20 0.51
▸ MAPT P10636 6/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ NSD2 O96028 1/20 0.47
▸ SCN2A Q99250 1/20 0.44
▸ CCNE2 O96020 1/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ MEN1 O00255 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ THRB P10828 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL10444709 0.86 MAPT (0.43) SLC6A2SLC6A4SLC6A3MAPTKDM4E
SCHEMBL10444660 0.84 MAPT (0.42) SLC6A2SLC6A4SLC6A3MAPTKDM4E
SCHEMBL10444726 0.84 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3MAPTKDM4E
SCHEMBL10444665 0.82 TSHR (0.44) SLC6A2SLC6A4SLC6A3MAPTKDM4E
SCHEMBL10444619 0.82 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3MAPTKDM4E
SCHEMBL10444795 0.81 TSHR (0.46) SLC6A2SLC6A4SLC6A3MAPTKDM4E
SCHEMBL10444673 0.81 TSHR (0.46) SLC6A2SLC6A4SLC6A3MAPTKDM4E
SCHEMBL10444802 0.81 TSHR (0.46) SLC6A2SLC6A4SLC6A3MAPTKDM4E
SCHEMBL10444628 0.81 TSHR (0.46) SLC6A2SLC6A4SLC6A3MAPTKDM4E
SCHEMBL10444816 0.81 TSHR (0.46) SLC6A2SLC6A4SLC6A3MAPTKDM4E

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-0371782-A2 Anthraquinone compound, polymerizable dyestuff monomer derived therefrom and resin and color toner composition MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-06-06 — — EP disclosed
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