SCHEMBL6971385

SCHEMBL6971385

O=c1c(Cc2cccnc2)cn2c3ccc([N+](=O)[O-])cc3c3cc(Cl)cc1c32

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
PSD A5PKW4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
GABRA5 P31644 3/20 0.36
GABRA1 P14867 2/20 0.36
PDE5A O76074 2/20 0.35
CNR1 P21554 1/20 0.35
ACHE P22303 1/20 0.35
CNR2 P34972 1/20 0.35
NAMPT P43490 1/20 0.34

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
SCHEMBL6982751 0.85 GABRA5 (0.38) CYP19A1CYP11B1CYP11B2ALDH1A1GABRA5
SCHEMBL6975094 0.85 GABRA5 (0.38) CYP19A1CYP11B1CYP11B2PSDGABRA5
SCHEMBL8159124 0.83 GABRA5 (0.41) ALDH1A1GABRA5GABRA1
SCHEMBL7670695 0.81 GABRA5 (0.43) CYP11B1CYP11B2ALDH1A1GABRA5GABRA1
SCHEMBL6981471 0.80 GABRA5 (0.43) CYP11B1CYP11B2ALDH1A1MAPTGABRA5
SCHEMBL6981678 0.76 GABRA1 (0.46) CYP19A1CYP11B1CYP11B2SMN1; SMN2ALDH1A1
SCHEMBL6979231 0.75 EGFR (0.53) ALDH1A1MAPT
SCHEMBL6974694 0.75 PTGDR2 (0.45) CYP19A1CYP11B1CYP11B2
SCHEMBL6979201 0.75 GABRA1 (0.41) KDM4EALDH1A1GAAMAPTGABRA5
SCHEMBL6978741 0.75 GABRA1 (0.41) CYP19A1KDM4EALDH1A1GAAMAPT

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