SCHEMBL8798803

SCHEMBL8798803

NCC1Cc2c[nH]c3cccc(c23)C(=O)N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.54
PRKCD Q05655 3/20 0.44
PRKCG P05129 2/20 0.42
PRKCB P05771 2/20 0.42
PRKCA P17252 2/20 0.42
PRKCH P24723 2/20 0.42
PRKCE Q02156 2/20 0.42
PRKCQ Q04759 2/20 0.42
PRKD3 O94806 1/20 0.42
PRKCI P41743 1/20 0.42
PRKCZ Q05513 1/20 0.42
PRKD1 Q15139 1/20 0.42
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40

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 SCHEMBL8798710 0.99 PARP1 (0.52) PARP1PRKCDPRKCGPRKCBPRKCA
SCHEMBL9485325 0.90 PARP1 (0.51) PARP1PRKCDPRKCGPRKCBPRKCA
SCHEMBL8798234 0.86 PRKCD (0.58) PARP1PRKCDPRKCGPRKCBPRKCA
SCHEMBL8800099 0.83 PARP1 (0.50) PARP1PRKCDPRKCGPRKCBPRKCA
Maleic Acid SCHEMBL8799129 0.81 PARP1 (0.43) PARP1PRKCDPRKCGPRKCBPRKCA
SCHEMBL8799164 0.81 PARP1 (0.48) PARP1PRKCDPRKCGPRKCBPRKCA
SCHEMBL6862141 0.80 PRKCD (0.53) PRKCDPRKCGPRKCBPRKCAPRKCH
SCHEMBL5037320 0.76 TSHR (0.57) PARP1HSD17B10HTR2AHTR2CHRH1
SCHEMBL8800073 0.76 DRD4 (0.45) PARP1KDM4EMEN1KMT2AMAPT
SCHEMBL9483531 0.76 PARP1 (0.54) 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