SCHEMBL6788917

SCHEMBL6788917

O=C(NCCCN1CCOCC1)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 1/20 0.51
MAPK8 P45983 1/20 0.51
MAPK10 P53779 1/20 0.51
MAPK14 Q16539 1/20 0.51
PARP1 P09874 4/20 0.50
PDGFRB P09619 2/20 0.50
FLT1 P17948 2/20 0.50
KDR P35968 2/20 0.50
PRMT3 O60678 1/20 0.50
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
ROCK1 Q13464 1/20 0.48
KMT2A Q03164 1/20 0.47
TACR2 P21452 2/20 0.47
EPHX2 P34913 2/20 0.47

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 SCHEMBL6786529 0.99 HPGD (0.51) HPGDSMN1; SMN2MAPTMAPK8MAPK10
SCHEMBL6786857 0.90 CYP3A4 (0.59) HPGDMAPTMAPK8MAPK10MAPK14
Hydrochloric Acid SCHEMBL6793755 0.90 CYP3A4 (0.58) HPGDMAPTMAPK8MAPK10MAPK14
SCHEMBL6792471 0.87 PARP1 (0.57) HPGDPARP1ROCK1
SCHEMBL6783254 0.86 PARP1 (0.54) HPGDPARP1ROCK1
SCHEMBL6786416 0.86 PARP1 (0.54) HPGDPARP1ROCK1
SCHEMBL12231987 0.85 MAPK8 (0.64) HPGDSMN1; SMN2MAPK8MAPK10MAPK14
Hydrochloric Acid SCHEMBL6786545 0.85 PARP1 (0.53) HPGDPARP1ROCK1
SCHEMBL6787452 0.85 LMNA (0.57) HPGDSMN1; SMN2MAPTKMT2A
Hydrochloric Acid SCHEMBL6787186 0.84 LMNA (0.56) HPGDSMN1; SMN2MAPTKMT2A

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