SCHEMBL6979991

SCHEMBL6979991

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
TBXAS1 P24557 4/20 0.41
POLB P06746 1/20 0.40
CNR2 P34972 1/20 0.40
PLA2G7 Q13093 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
NAMPT P43490 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MAPT P10636 1/20 0.36
PIK3CA P42336 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
SCHEMBL6977976 0.92 CNR2 (0.40) TBXAS1CNR2KDM4EALDH1A1HPGD
SCHEMBL6981401 0.87 ALDH1A1 (0.44) KDM4ELMNAALDH1A1HPGD
SCHEMBL6968571 0.85 GABRA1 (0.43) TBXAS1KMT2AHTTALDH1A1MAPT
SCHEMBL7666493 0.82 GABRA1 (0.40) TSHRTBXAS1CNR2PLA2G7HTT
SCHEMBL8145307 0.82 PARP1 (0.38) TSHRTBXAS1POLBKMT2AHTT
SCHEMBL8144941 0.81 CYP19A1 (0.38) TSHRTBXAS1HTTKDM4ELMNA
SCHEMBL8151315 0.78 KDM4E (0.41) TSHRCNR2HTTKDM4ELMNA
SCHEMBL6981815 0.78 GABRA1 (0.46) TBXAS1KMT2AKDM4EALDH1A1MAPT
SCHEMBL6968626 0.78 FPR1 (0.39) TSHRTBXAS1KMT2AKDM4ELMNA
SCHEMBL8153648 0.77 VKORC1 (0.40) TSHRCNR2HTTKDM4ELMNA

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 4 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
US-6018046-A SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed