SCHEMBL10444716

SCHEMBL10444716

CCc1ccc(Sc2cccc3c2C(=O)c2c(Sc4ccc(CC)cc4N)cccc2C3=O)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 14/20 0.52
▸ SLC6A2 P23975 13/20 0.52
▸ MAPT P10636 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ NSD2 O96028 1/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SLC6A3 Q01959 6/20 0.40
▸ ADORA2A P29274 1/20 0.37
▸ EDNRB P24530 1/20 0.34
▸ EDNRA P25101 1/20 0.34
▸ PTPRC P08575 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL10444668 0.90 KDM4E (0.44) SLC6A4SLC6A2MAPTMAPK1KDM4E
SCHEMBL10444639 0.87 SLC6A2 (0.44) SLC6A4SLC6A2MAPTMAPK1KDM4E
SCHEMBL10444621 0.86 SLC6A2 (0.43) SLC6A4SLC6A2MAPTMAPK1KDM4E
SCHEMBL10444707 0.86 MAPT (0.43) SLC6A4SLC6A2MAPTMAPK1KDM4E
SCHEMBL10444814 0.85 SLC6A2 (0.42) SLC6A4SLC6A2MAPTMAPK1KDM4E
SCHEMBL10444627 0.85 SLC6A2 (0.42) SLC6A4SLC6A2MAPTMAPK1KDM4E
SCHEMBL10444442 0.85 SLC6A2 (0.42) SLC6A4SLC6A2MAPTMAPK1KDM4E
SCHEMBL10444609 0.85 SLC6A2 (0.42) SLC6A4SLC6A2MAPTMAPK1KDM4E
SCHEMBL10444640 0.85 SLC6A2 (0.42) SLC6A4SLC6A2MAPTMAPK1KDM4E
SCHEMBL10444625 0.85 SLC6A2 (0.42) SLC6A4SLC6A2MAPTMAPK1KDM4E

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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