SCHEMBL6793941

SCHEMBL6793941

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.61
SMN1; SMN2 Q16637 5/20 0.56
HPGD P15428 3/20 0.56
USP2 O75604 1/20 0.56
TSHR P16473 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ROCK2 O75116 2/20 0.55
ROCK1 Q13464 2/20 0.55
KDM4E B2RXH2 4/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
AURKA O14965 1/20 0.49
GSK3A P49840 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL6782566 0.97 PARP1 (0.60) PARP1SMN1; SMN2HPGDUSP2TSHR
SCHEMBL6782812 0.94 PARP1 (0.67) PARP1USP2NPSR1ROCK2ROCK1
SCHEMBL6783287 0.92 PARP1 (0.55) PARP1SMN1; SMN2HPGDUSP2TSHR
Hydrochloric Acid SCHEMBL6788534 0.91 PARP1 (0.54) PARP1SMN1; SMN2HPGDUSP2TSHR
SCHEMBL6782921 0.90 PARP1 (0.55) PARP1SMN1; SMN2HPGDUSP2TSHR
SCHEMBL6788561 0.89 PARP1 (0.53) PARP1ROCK2ROCK1KDM4EALDH1A1
SCHEMBL6787387 0.89 PARP1 (0.56) PARP1NPSR1ROCK2ROCK1KDM4E
Hydrochloric Acid SCHEMBL6788444 0.89 PARP1 (0.54) PARP1SMN1; SMN2HPGDUSP2TSHR
SCHEMBL6789344 0.89 ROCK2 (0.57) PARP1HPGDNPSR1ROCK2ROCK1
SCHEMBL6785862 0.89 ROCK1 (0.55) PARP1HPGDNPSR1ROCK2ROCK1

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