SCHEMBL6924518

SCHEMBL6924518

Nn1c(C2CCCCC2)cc(-n2ccnc2)cc1=O.O=c1cc(-n2ccnc2)cc(C2CCCCC2)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.36
CD38 P28907 4/20 0.35
YTHDF3 Q7Z739 1/20 0.35
YTHDF1 Q9BYJ9 1/20 0.35
YTHDF2 Q9Y5A9 1/20 0.35
ADH5 P11766 2/20 0.34
MTOR P42345 1/20 0.33
PDE3B Q13370 3/20 0.32
PDE3A Q14432 3/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.31
CRBN Q96SW2 2/20 0.31
TBXAS1 P24557 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL6827359 0.89 PGR (0.38) PGRCD38ADH5PDE3BPDE3A
SCHEMBL6824827 0.89 PGR (0.38) PGRCD38ADH5PDE3BPDE3A
SCHEMBL6920616 0.88 PGR (0.41) PGRYTHDF3YTHDF1YTHDF2ADH5
SCHEMBL6918526 0.88 PGR (0.41) PGRYTHDF3YTHDF1YTHDF2ADH5
SCHEMBL6827087 0.88 PGR (0.39) PGRCD38ADH5PDE3BPDE3A
SCHEMBL6919141 0.87 PGR (0.42) PGRYTHDF3YTHDF1YTHDF2ADH5
SCHEMBL6827401 0.78 HTR2A (0.39) CD38PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL6827314 0.75 HTR2A (0.44) CD38ADH5PDE3BPDE3ACYP11B1
SCHEMBL6827985 0.73 CD38 (0.38) PGRCD38PDE3BPDE3ACYP11B1
SCHEMBL6827215 0.71 NR1I2 (0.38) CD38

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-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO disclosed