SCHEMBL7510642

SCHEMBL7510642

C=C(c1ccccc1Cl)c1nc2ccsc2c(=O)n1-c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
PIK3CD O00329 2/20 0.43
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE4B Q07343 2/20 0.40
PDE7A Q13946 2/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
KIF11 P52732 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 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
SCHEMBL7514703 0.88 ALDH1A1 (0.44) POLBPIK3CDALDH1A1SMN1; SMN2PDE4B
SCHEMBL7511488 0.88 PIK3CD (0.43) POLBPIK3CDALDH1A1SMN1; SMN2PDE4B
SCHEMBL7520791 0.86 PIK3CD (0.42) POLBPIK3CDALDH1A1SMN1; SMN2PDE4B
SCHEMBL8805022 0.85 PDE7A (0.43) POLBPIK3CDALDH1A1SMN1; SMN2PDE4B
SCHEMBL7512387 0.84 ALDH1A1 (0.42) POLBALDH1A1SMN1; SMN2PDE4BPDE7A
SCHEMBL7511216 0.83 PIK3CD (0.47) POLBPIK3CDALDH1A1SMN1; SMN2PDE4B
SCHEMBL7509792 0.83 POLB (0.41) POLBALDH1A1SMN1; SMN2PDE4BPDE7A
SCHEMBL7511753 0.80 PIK3CD (0.44) POLBPIK3CDALDH1A1SMN1; SMN2PDE4B
SCHEMBL7513112 0.79 PIK3CD (0.42) POLBPIK3CDALDH1A1SMN1; SMN2PDE4B
SCHEMBL7517882 0.79 POLB (0.41) POLBPIK3CDALDH1A1SMN1; SMN2PDE4B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807633-B1 Novel 2,3-disubstituted-(5,6)- heteroarylfused-pyrimidine-4-ones PFIZER (US) 2002-11-06 EP claimed
EP-0807633-A2 Novel 2,3-disubstituted-(5,6)- heteroarylfused-pyrimidine-4-ones PFIZER INC. (US) 1997-11-19 EP claimed
EP-0807633-A2 Novel 2,3-disubstituted-(5,6)- heteroarylfused-pyrimidine-4-ones PFIZER INC. (US) 1997-11-19 EP disclosed