SCHEMBL10444626

SCHEMBL10444626

CC(C)c1ccc(Sc2cccc3c2C(=O)c2c(Sc4ccc(C(C)C)cc4N)cccc2C3=O)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 5/20 0.47
▸ MAPT P10636 5/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ NSD2 O96028 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.41
▸ ADORA2A P29274 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ ALOX12 P18054 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ PTPRC P08575 1/20 0.37
▸ MAOA P21397 3/20 0.36
▸ MAOB P27338 2/20 0.36
▸ BCL2 P10415 2/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL10444619 0.82 SLC6A4 (0.51) MAPK1MAPTKDM4ENSD2ALDH1A1
SCHEMBL10444707 0.81 MAPT (0.43) MAPK1MAPTKDM4ENSD2ALDH1A1
SCHEMBL10444623 0.79 KDM4E (0.50) MAPK1MAPTKDM4ENSD2ALDH1A1
SCHEMBL10444670 0.79 MAPK1 (0.50) MAPK1MAPTKDM4ENSD2ALDH1A1
SCHEMBL10444416 0.79 SLC6A4 (0.42) MAPK1MAPTKDM4ENSD2ADORA2A
SCHEMBL10444730 0.78 SLC6A2 (0.51) MAPK1MAPTKDM4ENSD2ALDH1A1
SCHEMBL10444716 0.78 SLC6A4 (0.52) MAPK1MAPTKDM4ENSD2ALDH1A1
SCHEMBL10339614 0.78 MAPT (0.64) MAPK1MAPTKDM4ENSD2ALDH1A1
SCHEMBL10444668 0.76 KDM4E (0.44) MAPK1MAPTKDM4ENSD2ADORA2A
SCHEMBL1683323 0.76 ADORA2A (0.65) MAPK1MAPTKDM4ENSD2ALDH1A1

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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