SCHEMBL6786188

SCHEMBL6786188

O=C(Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1)OCCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
ROCK1 Q13464 6/20 0.49
PARP1 P09874 4/20 0.47
ROCK2 O75116 3/20 0.47
MET P08581 1/20 0.46
EPHX2 P34913 1/20 0.44
FLT3 P36888 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6793451 0.89 HPGD (0.50) HPGDROCK1PARP1ROCK2EPHX2
SCHEMBL6792471 0.85 PARP1 (0.57) HPGDROCK1PARP1ROCK2LMNA
SCHEMBL6783254 0.84 PARP1 (0.54) HPGDROCK1PARP1LMNA
SCHEMBL6788917 0.84 HPGD (0.52) HPGDROCK1PARP1EPHX2KMT2A
SCHEMBL6786416 0.84 PARP1 (0.54) HPGDROCK1PARP1LMNA
Hydrochloric Acid SCHEMBL6786545 0.83 PARP1 (0.53) HPGDROCK1PARP1LMNAPOLB
SCHEMBL6789919 0.83 HPGD (0.49) HPGDROCK1PARP1ROCK2KMT2A
Hydrochloric Acid SCHEMBL6786529 0.83 HPGD (0.51) HPGDROCK1PARP1EPHX2KMT2A
SCHEMBL6787452 0.83 LMNA (0.57) HPGDMEN1KMT2ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6791212 0.82 HPGD (0.49) HPGDROCK1PARP1ROCK2KMT2A

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