SCHEMBL10279800

SCHEMBL10279800

Nc1ccc(-n2cnc(Cl)c2)c(OCCOCCNC2=C3CCC(c4ccccc4)C3=NC(Cl)N2)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
UGT1A1 P22309 1/20 0.37
KCNH2 Q12809 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31

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
SCHEMBL18023089 0.94 UGT1A1 (0.38) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL368500 0.78 UGT1A1 (0.51) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL369277 0.71 UGT1A1 (0.52) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL10324544 0.70 UGT1A1 (0.32) UGT1A1KCNH2SLCO1B1
SCHEMBL369543 0.67 UGT1A1 (0.48) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL10324958 0.66 UGT1A1 (0.35) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL10324462 0.66 UGT1A1 (0.33) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL369451 0.66 UGT1A1 (0.48) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL1225620 0.62 UGT1A1 (0.53) UGT1A1KCNH2SLCO1B1PSEN1PSEN2
SCHEMBL18023082 0.62 UGT1A1 (0.54) UGT1A1KCNH2SLCO1B1PSEN1PSEN2

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-2012009309-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 WO disclosed