SCHEMBL37776

SCHEMBL37776

Cc1c(C(N)=O)sc2nc(Cc3cccc(Cl)c3)[nH]c(=O)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.61
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 2/20 0.56
PIP4K2A P48426 1/20 0.48
MEN1 O00255 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDE9A O76083 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CCNB2 O95067 2/20 0.45
CCNE2 O96020 2/20 0.45
CDK1 P06493 2/20 0.45
CDK4 P11802 2/20 0.45

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
SCHEMBL3492352 0.90 PDE5A (0.69) PDE5AKMT2AALDH1A1KDM4EPIP4K2A
SCHEMBL3492211 0.89 PDE5A (0.67) PDE5AKMT2AALDH1A1KDM4EPIP4K2A
SCHEMBL3492213 0.88 PDE5A (0.60) PDE5AKMT2AALDH1A1KDM4EPIP4K2A
SCHEMBL4518642 0.87 PIP4K2A (0.66) PDE5AKMT2AALDH1A1KDM4EPIP4K2A
SCHEMBL38376 0.86 RNASEH1 (0.52) PDE5AKMT2AALDH1A1KDM4EPIP4K2A
SCHEMBL38098 0.84 PDE5A (0.56) PDE5AKMT2AALDH1A1KDM4EPIP4K2A
SCHEMBL37738 0.84 PDE5A (0.56) PDE5AKMT2AALDH1A1KDM4EPIP4K2A
SCHEMBL16175769 0.82 PDE5A (0.63) PDE5AKMT2AALDH1A1KDM4EPIP4K2A
SCHEMBL38743 0.82 PDE5A (0.82) PDE5AKMT2AALDH1A1KDM4EMAPT
SCHEMBL37886 0.81 PDE5A (0.59) PDE5AKMT2AALDH1A1KDM4EPDE9A

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