SCHEMBL30159638

SCHEMBL30159638

O=c1[nH]nc(Cc2cccc(Cl)c2)cc1O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.56
DAO P14920 5/20 0.50
CYP3A4 P08684 2/20 0.48
PDE5A O76074 4/20 0.46
PDE9A O76083 1/20 0.46
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE1C Q14123 1/20 0.46
EGLN1 Q9GZT9 1/20 0.45
PARP1 P09874 3/20 0.41

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
SCHEMBL14718924 1.00 HCAR2 (0.56) HCAR2DAOCYP3A4PDE5APDE9A
SCHEMBL14719290 0.87 HCAR2 (0.48) HCAR2DAOCYP3A4EGLN1PARP1
SCHEMBL16231965 0.85 HTR2B (0.47) HCAR2DAOEGLN1PARP1
SCHEMBL14719355 0.84 LMNA (0.49) DAOEGLN1
SCHEMBL14719472 0.83 PARP1 (0.52) HCAR2DAOPARP1
SCHEMBL14719140 0.83 DAO (0.51) DAOPARP1
SCHEMBL30107651 0.83 DAO (0.51) DAOPARP1
SCHEMBL14719553 0.83 HCAR2 (0.56) HCAR2DAOPARP1
SCHEMBL30107633 0.83 HCAR2 (0.56) HCAR2DAOPARP1
SCHEMBL14718571 0.80 DAO (0.53) DAOPARP1

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
CN-115666526-A Oral solid preparation 武田药品工业株式会社 2023-01-31 CN disclosed