SCHEMBL8720952

SCHEMBL8720952

C=Cc1cccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(NC)cc3)[nH]2)c1-c1nc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.43
▸ NOX1 Q9Y5S8 1/20 0.42
▸ NPC1 O15118 5/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ STAT1 P42224 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PTPN5 P54829 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ GAA P10253 2/20 0.35

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
SCHEMBL8723120 0.91 MAPT (0.36) MAPTRXFP1NPC1RAB9AKDM4E
SCHEMBL8718582 0.86 KDM4E (0.40) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL3824183 0.82 NOX1 (0.45) MAPTRXFP1NOX1NPC1RAB9A
SCHEMBL6609826 0.75 NOX1 (0.51) MAPTRXFP1NOX1NPC1RAB9A
SCHEMBL3830694 0.73 MEN1 (0.37) MAPTNOX1NPC1RAB9AMEN1
SCHEMBL3826536 0.72 MEN1 (0.48) MAPTNOX1NPC1RAB9AALDH1A1
SCHEMBL3828923 0.70 NOX1 (0.40) MAPTRXFP1NOX1NPC1RAB9A
SCHEMBL5708149 0.70 TOP2A (0.49) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL3825381 0.68 KDM4E (0.36) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL1660542 0.67 NPC1 (0.67) MAPTNPC1RAB9AKDM4EALDH1A1

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
US-5840721-A INCREASE SENSITIVITY OF MULTIDRUG RESISTANT TUMOR CELLS TO ANTICANCER AGENTS ONTOGEN CORPORATION (US) 1998-11-24 — — US disclosed
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