SCHEMBL8799164

SCHEMBL8799164

O=C1NC(CN2C(=O)c3ccccc3C2=O)Cc2c[nH]c3cccc1c23

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.48
PRKCD Q05655 3/20 0.41
PRKCG P05129 2/20 0.41
PRKCB P05771 2/20 0.41
PRKCA P17252 2/20 0.41
PRKCH P24723 2/20 0.41
PRKCE Q02156 2/20 0.41
PRKCQ Q04759 2/20 0.41
PRKD3 O94806 1/20 0.41
PRKCI P41743 1/20 0.41
PRKCZ Q05513 1/20 0.41
PRKD1 Q15139 1/20 0.41
HTR3A P46098 2/20 0.39
MAPT P10636 6/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 5/20 0.39

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
SCHEMBL8798234 0.81 PRKCD (0.58) PARP1PRKCDPRKCGPRKCBPRKCA
SCHEMBL8798803 0.81 PARP1 (0.54) PARP1PRKCDPRKCGPRKCBPRKCA
SCHEMBL8800073 0.80 DRD4 (0.45) PARP1MAPTMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL8798710 0.80 PARP1 (0.52) PARP1PRKCDPRKCGPRKCBPRKCA
SCHEMBL9485325 0.79 PARP1 (0.51) PARP1PRKCDPRKCGPRKCBPRKCA
SCHEMBL8800099 0.78 PARP1 (0.50) PARP1PRKCDPRKCGPRKCBPRKCA
SCHEMBL6687679 0.76 CYP1A2 (0.47) ALDH1A1CYP1A2TDP1
SCHEMBL9483532 0.73 PARP1 (0.42) PARP1PRKCDPRKCGPRKCBPRKCA
SCHEMBL8905140 0.72 CYP2C9 (0.42) MAPTMEN1KMT2AGAANPC1
Maleic Acid SCHEMBL8799129 0.72 PARP1 (0.43) PARP1PRKCDPRKCGPRKCBPRKCA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525584-B1 6-Oxo-azepinoindole derivatives, process and intermediates for their preparation and medicaments containing them SOLVAY PHARM GMBH (DE) 1997-12-10 EP disclosed
US-5272143-A 6-oxoazepinoindole compounds, and pharmaceutical compositions containing them KALI-CHEMIE PHARMA GMBH (DE) 1993-12-21 US disclosed
EP-0525584-A1 6-Oxo-azepinoindole derivatives, process and intermediates for their preparation and medicaments containing them Kali-Chemie Pharma GmbH (DE) 1993-02-03 EP disclosed