SCHEMBL6975209

SCHEMBL6975209

COc1cc2c3c(c1)c1ccccc1n3CC(C)C2=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NTRK1 P04629 2/20 0.37
CYP19A1 P11511 1/20 0.36
JAK3 P52333 1/20 0.34
HTR6 P50406 1/20 0.34
PRKCA P17252 1/20 0.34
GSK3B P49841 1/20 0.34
P2RX4 Q99571 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
SCHEMBL6978242 0.84 ACHE (0.39) ACHEMEN1ALDH1A1MAPTKMT2A
SCHEMBL6980082 0.84 ACHE (0.39) ACHEMEN1ALDH1A1MAPTKMT2A
SCHEMBL6982697 0.78 TUBB4A (0.42) L3MBTL1KDM4EMEN1ALDH1A1MAPT
SCHEMBL19996914 0.69 ALDH1A1 (0.56) ACHEL3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL22140755 0.68 PTPN1 (0.49) L3MBTL1KDM4EMEN1ALDH1A1MAPT
SCHEMBL6971863 0.66 ALDH1A1 (0.41) ACHEL3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL6978311 0.65 L3MBTL1 (0.44) L3MBTL1KDM4EMEN1ALDH1A1MAPT
SCHEMBL6982806 0.65 JAK3 (0.35) KDM4EHPGDHSD17B10JAK3
SCHEMBL17871209 0.64 METAP2 (0.47) L3MBTL1KDM4EMEN1ALDH1A1MAPT
SCHEMBL6981782 0.62 HTR2A (0.39) KDM4EALDH1A1MAPTHPGDHSD17B10

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