SCHEMBL6793749

SCHEMBL6793749

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.50
ROCK1 Q13464 5/20 0.49
ROCK2 O75116 2/20 0.49
HDAC6 Q9UBN7 4/20 0.44
HDAC1 Q13547 3/20 0.44
AURKA O14965 2/20 0.44
AURKB Q96GD4 1/20 0.44
HPGD P15428 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 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
Hydrochloric Acid SCHEMBL6788752 0.99 PARP1 (0.49) PARP1ROCK1ROCK2HDAC6HDAC1
SCHEMBL6788211 0.92 PARP1 (0.48) PARP1ROCK1ROCK2HDAC6HDAC1
Hydrochloric Acid SCHEMBL6788545 0.92 PARP1 (0.48) PARP1ROCK1ROCK2HDAC6HDAC1
SCHEMBL6785596 0.92 PARP1 (0.50) PARP1ROCK1ROCK2HDAC6HDAC1
Hydrochloric Acid SCHEMBL6788571 0.91 PARP1 (0.49) PARP1ROCK1ROCK2HDAC6HDAC1
SCHEMBL6794316 0.89 PARP1 (0.55) PARP1ROCK1ROCK2HDAC6HDAC1
SCHEMBL6789074 0.89 PARP1 (0.48) PARP1ROCK1ROCK2HDAC6HDAC1
Hydrochloric Acid SCHEMBL6787691 0.88 PARP1 (0.54) PARP1ROCK1ROCK2HDAC6HDAC1
SCHEMBL6787112 0.88 PARP1 (0.54) PARP1ROCK1ROCK2HDAC6HDAC1
Hydrochloric Acid SCHEMBL6782858 0.88 PARP1 (0.48) PARP1ROCK1ROCK2HDAC6HDAC1

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 2 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