SCHEMBL8723120

SCHEMBL8723120

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ CASP1 P29466 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ PTPN2 P17706 1/20 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
SCHEMBL8720952 0.91 MAPT (0.43) MAPTRXFP1NPC1RAB9AKDM4E
SCHEMBL8718582 0.84 KDM4E (0.40) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL3830694 0.83 MEN1 (0.37) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL3824183 0.73 NOX1 (0.45) MAPTRXFP1NPC1RAB9AKDM4E
SCHEMBL63176 0.69 NPC1 (0.58) MAPTRXFP1NPC1RAB9AKDM4E
SCHEMBL5708149 0.68 TOP2A (0.49) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL3825381 0.66 KDM4E (0.36) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL6609826 0.66 NOX1 (0.51) MAPTRXFP1NPC1RAB9AKDM4E
SCHEMBL1660542 0.66 NPC1 (0.67) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL11054293 0.65 NOX1 (0.72) MAPTKDM4EALDH1A1HPGDMEN1

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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