SCHEMBL6469351

SCHEMBL6469351

CCN(CC)CCOc1ccc2nc(Nc3nc(C)c4cc(OC)cc(OC)c4n3)nc(O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
PSMD14 O00487 1/20 0.39
APAF1 O14727 1/20 0.39
MITF O75030 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
PTK2B Q14289 1/20 0.39
ESR1 P03372 2/20 0.39
EBP Q15125 2/20 0.39
ESR2 Q92731 2/20 0.39
DHCR7 Q9UBM7 2/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL6470895 0.94 MEN1 (0.37) MEN1ALDH1A1KMT2AKDM4EMAPT
Trifluoroacetic Acid SCHEMBL6467477 0.89 TLR7 (0.36) MEN1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL6468013 0.88 KDR (0.41) MEN1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL6470898 0.84 MEN1 (0.36) MEN1ALDH1A1KMT2AKDM4EMAPT
Trifluoroacetic Acid SCHEMBL6465761 0.83 AURKA (0.39) MEN1ALDH1A1KMT2AKDM4EMAPT
Trifluoroacetic Acid SCHEMBL6469701 0.82 KDM4E (0.35) MEN1ALDH1A1KMT2AKDM4EMAPT
Trifluoroacetic Acid SCHEMBL6467968 0.82 KDR (0.41) MEN1ALDH1A1KMT2AKDM4EMAPT
Trifluoroacetic Acid SCHEMBL6467382 0.82 ALDH1A1 (0.38) MEN1ALDH1A1KMT2AKDM4EMAPT
Trifluoroacetic Acid SCHEMBL6470080 0.81 KDM4E (0.39) MEN1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL6467480 0.80 TLR7 (0.34) MEN1ALDH1A1KMT2AKDM4EMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 WO claimed
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 WO disclosed