SCHEMBL4798554

SCHEMBL4798554

Nc1cccn2c(-c3ccc(Cl)c(Cl)c3)cnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 1.00
RAB9A P51151 4/20 1.00
KDM4E B2RXH2 4/20 1.00
ALDH1A1 P00352 4/20 1.00
MAPT P10636 4/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
MEN1 O00255 2/20 1.00
NFKB1 P19838 2/20 1.00
NFKB2 Q00653 2/20 1.00
KMT2A Q03164 2/20 1.00
RELA Q04206 2/20 1.00
L3MBTL1 Q9Y468 2/20 1.00
DHFR P00374 1/20 0.39
BACE1 P56817 1/20 0.39
ADORA1 P30542 1/20 0.38
KMO O15229 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
MIF P14174 1/20 0.37

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
SCHEMBL4779545 0.84 RAB9A (1.00) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL4726303 0.76 KDM4E (0.60) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL5413859 0.74 KDM4E (0.59) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL7499663 0.73 ALDH1A1 (0.61) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL5413864 0.71 KDM4E (0.55) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL19748096 0.70 KDM4E (0.57) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL5408690 0.68 KDM4E (0.51) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL31669622 0.67 NPC1 (0.50) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL2519357 0.66 KDM4E (0.53) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL22139141 0.66 MEN1 (0.49) NPC1RAB9AKDM4EALDH1A1MAPT

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
WO-2008029152-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 WO disclosed