SCHEMBL10444623

SCHEMBL10444623

Nc1cc(Cl)ccc1Sc1cccc2c1C(=O)c1c(Sc3ccc(Cl)cc3N)cccc1C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.50
▸ MAPK1 P28482 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ NSD2 O96028 1/20 0.50
▸ SLC6A2 P23975 2/20 0.47
▸ SLC6A4 P31645 2/20 0.47
▸ SLC6A3 Q01959 2/20 0.47
▸ PDE7A Q13946 4/20 0.45
▸ ADORA2A P29274 1/20 0.40
▸ ITGB2 P05107 1/20 0.37
▸ ICAM1 P05362 1/20 0.37
▸ ITGAL P20701 1/20 0.37
▸ PTPRC P08575 1/20 0.37
▸ S100A4 P26447 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ ALOX15 P16050 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ALOX12 P18054 1/20 0.36

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) KDM4EMAPK1MAPTNSD2SLC6A2
SCHEMBL10444670 0.82 MAPK1 (0.50) KDM4EMAPK1MAPTNSD2SLC6A2
SCHEMBL10339614 0.81 MAPT (0.64) KDM4EMAPK1MAPTNSD2SLC6A2
SCHEMBL11580575 0.80 ADORA2A (0.45) KDM4EMAPK1MAPTNSD2SLC6A2
SCHEMBL10444716 0.79 SLC6A4 (0.52) KDM4EMAPK1MAPTNSD2SLC6A2
SCHEMBL10444730 0.79 SLC6A2 (0.51) KDM4EMAPK1MAPTNSD2SLC6A2
SCHEMBL11580514 0.79 ADORA2A (0.47) KDM4EMAPK1MAPTNSD2PDE7A
SCHEMBL10444626 0.79 MAPK1 (0.47) KDM4EMAPK1MAPTNSD2SLC6A2
SCHEMBL10444806 0.78 MAPT (0.46) KDM4EMAPK1MAPTNSD2SLC6A2
SCHEMBL10444668 0.77 KDM4E (0.44) KDM4EMAPK1MAPTNSD2SLC6A2

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
Send feedback