SCHEMBL28079408

SCHEMBL28079408

NC(=O)c1nn(CN2CCCC2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.49
PARP1 P09874 1/20 0.47
CFD P00746 13/20 0.47
POLB P06746 1/20 0.43
RAD52 P43351 1/20 0.43
SCN9A Q15858 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL7538551 0.81 CNR2 (0.47) PARP1KDM4E
SCHEMBL28079256 0.79 ELANE (0.56) ELANEPARP1CFDSCN9A
SCHEMBL8877216 0.78 ELANE (0.55) ELANEPARP1CFDSCN9A
SCHEMBL7550775 0.77 CNR2 (0.62) ELANEPARP1POLBKDM4E
SCHEMBL29358880 0.77 HSD17B10 (0.61) ELANEPARP1CFDSCN9AKDM4E
SCHEMBL12479559 0.77 HSD17B10 (0.61) ELANEPARP1CFDSCN9AKDM4E
SCHEMBL5433258 0.76 CNR1 (0.57) ELANEPARP1CFD
SCHEMBL18967134 0.75 ELANE (0.52) ELANEPARP1CFDSCN9A
SCHEMBL3775553 0.75 PTGER4 (0.60) ELANEPARP1SCN9AKDM4E
SCHEMBL31647277 0.75 PTGER4 (0.60) ELANEPARP1SCN9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105658640-A Alkynyl alcohols and methods of use 豪夫迈·罗氏有限公司 2016-06-08 CN disclosed