SCHEMBL6981871

SCHEMBL6981871

COc1ccc2[nH]c3ccc(C(C)=O)cc3c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
KDM4E B2RXH2 4/20 0.68
HSD17B10 Q99714 3/20 0.68
MAPT P10636 3/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
TSHR P16473 1/20 0.68
GFER P55789 1/20 0.68
MTNR1A P48039 2/20 0.67
MTNR1B P49286 2/20 0.67
KIF11 P52732 1/20 0.59
HPGD P15428 3/20 0.58
USP2 O75604 1/20 0.54
MAPK1 P28482 1/20 0.54
ACHE P22303 3/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL17461848 0.92 KIF11 (0.67) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL30366673 0.86 KIF11 (0.74) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL31506909 0.86 KIF11 (0.74) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL2333579 0.86 KIF11 (0.74) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL19331068 0.86 KDM4E (0.66) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL29373898 0.86 KDM4E (0.66) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL2597652 0.82 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL29391519 0.82 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL541732 0.81 ALDH1A1 (0.71) ALDH1A1KDM4EHSD17B10MAPTMEN1
Clausine C SCHEMBL601713 0.79 KIF11 (0.67) ALDH1A1KDM4EHSD17B10MAPTMEN1

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