SCHEMBL3789882

SCHEMBL3789882

C=CCC(C(=O)N=C(S)Nc1ccc(-n2cnc(Cl)c2)c(OC)c1)c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F11 P03951 11/20 0.42
KLKB1 P03952 11/20 0.42
PSEN1 P49768 7/20 0.37
PSEN2 P49810 7/20 0.37
APH1B Q8WW43 7/20 0.37
NCSTN Q92542 7/20 0.37
APH1A Q96BI3 7/20 0.37
PSENEN Q9NZ42 7/20 0.37
AAK1 Q2M2I8 1/20 0.35
UGT1A1 P22309 1/20 0.34
KCNH2 Q12809 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34

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
SCHEMBL15049710 0.90 F11 (0.40) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL965131 0.79 F11 (0.42) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL961002 0.77 F11 (0.38) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL961001 0.77 F11 (0.38) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL960931 0.76 F11 (0.35) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL964618 0.76 PSEN1 (0.42) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL963648 0.71 UGT1A1 (0.42) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL960134 0.69 PSEN1 (0.41) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL961832 0.66 UGT1A1 (0.45) F11KLKB1PSEN1PSEN2APH1B
SCHEMBL961599 0.66 PSEN1 (0.46) F11KLKB1PSEN1PSEN2APH1B

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-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 WO disclosed