SCHEMBL7978792

SCHEMBL7978792

O=c1[nH]ncc2nc3ccccc3cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
PARP1 P09874 1/20 0.58
PRKCI P41743 1/20 0.58
PDE4B Q07343 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
GLA P06280 3/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
ACHE P22303 1/20 0.47
KDM4E B2RXH2 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
RAB9A P51151 4/20 0.43
GAA P10253 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
PTBP1 P26599 1/20 0.43
RCE1 Q9Y256 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
SCHEMBL29948083 0.74 ALDH1A1 (0.54) ALDH1A1HSD17B10GLAHPGDMAPT
SCHEMBL634894 0.74 PARP1 (0.53) ALDH1A1PARP1GLAHPGDMAPT
Phthalazinone SCHEMBL51553 0.74 PARP1 (1.00) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL9686737 0.72 GAA (0.63) ALDH1A1PARP1PRKCIPDE4BHSD17B10
Phthalazinone SCHEMBL11516881 0.72 PARP1 (0.96) ALDH1A1PARP1PRKCIPDE4BHSD17B10
Phthalazinone SCHEMBL4663241 0.72 PARP1 (0.96) ALDH1A1PARP1PRKCIPDE4BHSD17B10
Phthalazinone SCHEMBL2473799 0.72 PARP1 (0.96) ALDH1A1PARP1PRKCIPDE4BHSD17B10
Phthalazinone SCHEMBL9617397 0.72 PARP1 (0.96) ALDH1A1PARP1PRKCIPDE4BHSD17B10
Phthalazinone SCHEMBL2962226 0.72 PARP1 (0.96) ALDH1A1PARP1PRKCIPDE4BHSD17B10
Phthalazinone SCHEMBL11690359 0.72 PARP1 (0.96) ALDH1A1PARP1PRKCIPDE4BHSD17B10

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-6214826-B1 NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 2001-04-10 US disclosed
EP-0790996-A1 PYRIDAZINOQUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1997-08-27 EP disclosed