SCHEMBL6599804

SCHEMBL6599804

O=C(Nc1ccc2c(Cc3ccsc3)n[nH]c(=O)c2c1)c1ccco1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 16/20 0.54
RAB9A P51151 4/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
NPC1 O15118 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 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
SCHEMBL4700524 0.81 NPC1 (0.57) PARP1RAB9ATP53MAPTNPC1
SCHEMBL4698434 0.81 PARP1 (0.61) PARP1KDM4EALDH1A1
SCHEMBL4697702 0.80 PARP1 (0.51) PARP1MAPT
SCHEMBL4703307 0.80 PARP1 (0.46) PARP1
SCHEMBL4701035 0.79 PARP1 (0.45) PARP1MAPTNPC1KDM4EALDH1A1
SCHEMBL4699083 0.79 PARP1 (0.47) PARP1TP53MAPTATMNPC1
SCHEMBL4699395 0.78 CYP3A4 (0.48) PARP1RAB9AMAPTNPC1KDM4E
SCHEMBL4697754 0.77 AURKB (0.54) PARP1RAB9AMAPTSMN1; SMN2
SCHEMBL4699412 0.76 PARP1 (0.50) PARP1RAB9ATP53MAPTNPC1
SCHEMBL4700145 0.75 PARP1 (0.48) PARP1RAB9AMAPTNPC1ALDH1A1

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
EP-1427708-A1 AMINO-PHTHALAZINONE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pharmacia Italia S.p.A. (IT) 2004-06-16 EP claimed
WO-2003014090-A1 AMINO-PHTHALAZINONE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed