SCHEMBL6793451

SCHEMBL6793451

O=C(COCCN1CCOCC1)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
ROCK1 Q13464 5/20 0.48
PARP1 P09874 3/20 0.48
ROCK2 O75116 3/20 0.46
EPHX2 P34913 2/20 0.45
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.44
JAK3 P52333 1/20 0.44
LMNA P02545 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL6785736 0.91 HPGD (0.51) HPGDROCK1PARP1ROCK2LMNA
Hydrochloric Acid SCHEMBL6782837 0.90 HPGD (0.51) HPGDROCK1PARP1ROCK2
SCHEMBL6786188 0.89 HPGD (0.51) HPGDROCK1PARP1ROCK2EPHX2
SCHEMBL6792471 0.89 PARP1 (0.57) HPGDROCK1PARP1ROCK2TSHR
SCHEMBL6783254 0.88 PARP1 (0.54) HPGDROCK1PARP1TSHRLMNA
SCHEMBL6786416 0.88 PARP1 (0.54) HPGDROCK1PARP1TSHRLMNA
Hydrochloric Acid SCHEMBL6786545 0.87 PARP1 (0.53) HPGDROCK1PARP1TSHRLMNA
SCHEMBL425918 0.85 HPGD (0.54) HPGDROCK1PARP1TSHRLMNA
SCHEMBL30090644 0.85 HPGD (0.54) HPGDROCK1PARP1TSHRLMNA
SCHEMBL6789919 0.85 HPGD (0.49) HPGDROCK1PARP1ROCK2MAPK1

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
US-6677333-B1 ANTIISCHEMIC AGENTS; BRAIN, CARDIOVASCULAR, MUSCULAR, AND GASTROINTESTINAL DISORDERS; ANALGESICS, ANTIDIABETIC AGENTS; RETROVIRUS SENSITIZERS; ALZHEIMER*S DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-13 US claimed
EP-1148053-A1 2H-PHTHALAZIN-1-ONE DERIVATIVES AND DRUGS COMPRISING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-24 EP claimed
US-6677333-B1 ANTIISCHEMIC AGENTS; BRAIN, CARDIOVASCULAR, MUSCULAR, AND GASTROINTESTINAL DISORDERS; ANALGESICS, ANTIDIABETIC AGENTS; RETROVIRUS SENSITIZERS; ALZHEIMER*S DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-13 US disclosed
EP-1148053-A1 2H-PHTHALAZIN-1-ONE DERIVATIVES AND DRUGS COMPRISING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-24 EP disclosed