SCHEMBL6977976

SCHEMBL6977976

O=C(O)c1ccc2c(c1)c1cccc3c(=O)c(Cc4cccnc4)cn2c31

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
TBXAS1 P24557 4/20 0.39
GAA P10253 1/20 0.38
KMO O15229 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PIK3CA P42336 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL6979991 0.92 TSHR (0.43) CNR2TBXAS1PTGDR2KDM4EPIK3CA
SCHEMBL6968571 0.85 GABRA1 (0.43) TBXAS1ALDH1A1
SCHEMBL7666493 0.82 GABRA1 (0.40) CNR2TBXAS1KDM4E
SCHEMBL6981401 0.81 ALDH1A1 (0.44) KDM4EALDH1A1HPGD
SCHEMBL8144941 0.81 CYP19A1 (0.38) TBXAS1KDM4EALDH1A1
SCHEMBL8145307 0.78 PARP1 (0.38) TBXAS1GAAKDM4EALDH1A1HPGD
SCHEMBL8153648 0.77 VKORC1 (0.40) CNR2KDM4EALDH1A1
SCHEMBL7670695 0.76 GABRA5 (0.43) ALDH1A1
SCHEMBL6979201 0.76 GABRA1 (0.41) TBXAS1GAAPTGDR2KDM4EALDH1A1
SCHEMBL6974694 0.76 PTGDR2 (0.45) TBXAS1PTGDR2HPGD

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-0985671-B1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed