SCHEMBL3532176

SCHEMBL3532176

CSN1CCN(C)C(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
CYP2C9 P11712 1/20 0.50
KCNE1 P15382 1/20 0.49
CCR1 P32246 1/20 0.49
KCNQ1 P51787 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CALCA P06881 1/20 0.42
LIPG Q9Y5X9 2/20 0.41
ERCC1 P07992 1/20 0.39
FEN1 P39748 1/20 0.39
ERCC4 Q92889 1/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 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
SCHEMBL1150674 0.90 KCNH2 (0.52) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL1150639 0.87 KCNH2 (0.50) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL1149965 0.87 KCNH2 (0.50) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL5765866 0.87 KCNH2 (0.50) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL1150006 0.86 KCNH2 (0.53) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL6668350 0.85 KCNH2 (0.48) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL1150153 0.85 KCNH2 (0.59) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL1150041 0.84 CYP2C9 (0.61) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL1150420 0.84 KCNH2 (0.47) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL1150155 0.84 KCNH2 (0.51) KCNH2CYP2C9KCNE1CCR1KCNQ1

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-7820660-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-10-26 US disclosed