SCHEMBL13809397

SCHEMBL13809397

CCc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(F)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.65
MAOA P21397 3/20 0.60
MAOB P27338 3/20 0.60
TSHR P16473 6/20 0.59
HTT P42858 4/20 0.58
ALDH1A1 P00352 5/20 0.57
ALOX15 P16050 3/20 0.57
TP53 P04637 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HSD17B10 Q99714 2/20 0.56
GPR18 Q14330 1/20 0.54
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 2/20 0.53
MAPK1 P28482 1/20 0.53
GFER P55789 1/20 0.53
HPGD P15428 1/20 0.52
ATM Q13315 1/20 0.52

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
SCHEMBL16029603 0.87 MAOA (0.59) PCSK9MAOAMAOBTSHRHTT
SCHEMBL13809153 0.86 TP53 (0.69) PCSK9TSHRHTTALDH1A1ALOX15
SCHEMBL16079548 0.86 MAOA (0.58) PCSK9MAOAMAOBTSHRHTT
SCHEMBL556399 0.85 SMN1; SMN2 (0.69) PCSK9MAOAMAOBTSHRHTT
SCHEMBL19560336 0.85 PCSK9 (0.54) PCSK9MAOAMAOBTSHRHTT
SCHEMBL8298465 0.81 ALDH1A1 (0.66) PCSK9MAOAMAOBTSHRHTT
SCHEMBL17791619 0.81 ALDH1A1 (0.84) TSHRHTTALDH1A1ALOX15TP53
SCHEMBL17791628 0.80 ALDH1A1 (0.65) PCSK9TSHRHTTALDH1A1ALOX15
SCHEMBL17791630 0.79 ALDH1A1 (0.64) TSHRHTTALDH1A1ALOX15TP53
SCHEMBL12604428 0.79 DPP4 (0.77) PCSK9MAOAMAOBTSHRHTT

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
EP-1319003-B1 XANTHINE PHOSPHODIESTERASE V INHIBITORS SCHERING CORP (US) 2009-06-10 EP disclosed