SCHEMBL46456

SCHEMBL46456

CCCC(=O)c1cc2nc(Cc3ccc(Cl)c(Cl)c3)[nH]c(=O)c2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.57
RNASEH1 O60930 1/20 0.49
RAB9A P51151 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
CDC7 O00311 3/20 0.37
CCNE1 P24864 3/20 0.37
CDK2 P24941 3/20 0.37
ROCK1 Q13464 3/20 0.37
DBF4 Q9UBU7 3/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
MAOB P27338 1/20 0.37
TYMP P19971 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL38484 0.86 PDE5A (0.57) PDE5ARNASEH1RAB9ALMNAKDM4E
SCHEMBL10083476 0.85 PDE5A (0.51) PDE5ARAB9ALMNASMN1; SMN2CDC7
SCHEMBL38180 0.84 PDE5A (0.60) PDE5ARNASEH1RAB9ALMNAKDM4E
SCHEMBL46031 0.81 PDE5A (0.56) PDE5ACDC7CCNE1CDK2ROCK1
SCHEMBL38035 0.80 PDE5A (0.55) PDE5ARNASEH1RAB9ALMNAKDM4E
SCHEMBL46296 0.77 PDE5A (0.56) PDE5ARNASEH1RAB9ALMNAKDM4E
SCHEMBL46310 0.77 PDE5A (0.74) PDE5ARNASEH1RAB9ALMNAKDM4E
SCHEMBL37644 0.77 PDE5A (0.53) PDE5ARNASEH1RAB9ALMNAKDM4E
SCHEMBL10084040 0.75 PDE5A (0.59) PDE5ARAB9ALMNAKDM4ESMN1; SMN2
SCHEMBL37942 0.75 PDE5A (0.78) PDE5ARNASEH1RAB9ALMNAKDM4E

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-2012004900-A1 THIENOPYRIMIDINE COMPOUNDS ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 WO disclosed