SCHEMBL6203112

SCHEMBL6203112

O=C1NCCn2c(-c3ccc(OCCO)cc3)nc3cccc1c32

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.86

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
SCHEMBL16876581 0.93 PARP1 (1.00) PARP1
SCHEMBL18241704 0.91 PARP1 (0.81) PARP1
SCHEMBL18255514 0.88 PARP1 (0.78) PARP1
SCHEMBL20571333 0.88 PARP1 (0.80) PARP1
SCHEMBL6200605 0.88 PARP1 (0.77) PARP1
SCHEMBL7161541 0.88 PARP1 (0.91) PARP1
SCHEMBL20627064 0.88 PARP1 (0.80) PARP1
SCHEMBL7165788 0.87 PARP1 (1.00) PARP1
SCHEMBL20571032 0.87 PARP1 (0.72) PARP1
SCHEMBL18255497 0.86 PARP1 (0.75) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3424909-A1 A POLY (ADP-RIBOSE) POLYMERASE-1 (PARP-1) INHIBITOR AND USES THEREFOR Washington University (US) 2019-01-09 EP disclosed
US-9993570-B2 Radiolabeled tracers for poly (ADP-ribose) polymerase-1 (PARP-1), methods and uses therefor WASHINGTON UNIVERSITY (US) 2018-06-12 US disclosed
EP-1208104-B1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMA (US) 2005-01-19 EP disclosed
US-6548494-B1 3,4-dihydro-2H-(1,4)diazepino(6,7,1-hi)indol-1-one or 1-thione derivatives where indole C3 could also be N; use treating cancers as well as stroke, head trauma, and neurodegenerative diseases AGOURON PHARMACEUTICALS, INC. 2003-04-15 US disclosed