SCHEMBL10444707

SCHEMBL10444707

CC(C)Cc1ccc(Sc2cccc3c2C(=O)c2c(Sc4ccc(CC(C)C)cc4N)cccc2C3=O)c(N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NSD2 O96028 1/20 0.43
▸ ELANE P08246 2/20 0.39
▸ CTSG P08311 1/20 0.39
▸ SLC6A2 P23975 10/20 0.38
▸ SLC6A4 P31645 10/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ EDNRA P25101 1/20 0.36
▸ PTPRC P08575 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAOA P21397 1/20 0.33

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
SCHEMBL10444416 0.88 SLC6A4 (0.42) MAPTMAPK1KDM4ENSD2SLC6A2
SCHEMBL10444716 0.86 SLC6A4 (0.52) MAPTMAPK1KDM4ENSD2SLC6A2
SCHEMBL10444668 0.84 KDM4E (0.44) MAPTMAPK1KDM4ENSD2ELANE
SCHEMBL10444639 0.81 SLC6A2 (0.44) MAPTMAPK1KDM4ENSD2ELANE
SCHEMBL10444626 0.81 MAPK1 (0.47) MAPTMAPK1KDM4ENSD2ELANE
SCHEMBL10444621 0.81 SLC6A2 (0.43) MAPTMAPK1KDM4ENSD2ELANE
SCHEMBL10444442 0.80 SLC6A2 (0.42) MAPTMAPK1KDM4ENSD2ELANE
SCHEMBL10444814 0.80 SLC6A2 (0.42) MAPTMAPK1KDM4ENSD2ELANE
SCHEMBL10444640 0.80 SLC6A2 (0.42) MAPTMAPK1KDM4ENSD2ELANE
SCHEMBL10444609 0.80 SLC6A2 (0.42) MAPTMAPK1KDM4ENSD2ELANE

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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