SCHEMBL22988620

SCHEMBL22988620

CN(N=O)c1ncc(-c2ccccc2)s1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.44
USP30 Q70CQ3 5/20 0.44
UCHL1 P09936 1/20 0.43
KDR P35968 8/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
GSTO1 P78417 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
SCD O00767 1/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37

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
SCHEMBL21845543 0.82 USP30 (0.37) HTR7USP30UCHL1LOXL2HSD17B1
SCHEMBL980817 0.81 HTR7 (0.50) HTR7USP30UCHL1KDRERCC5
SCHEMBL28539999 0.72 KDR (0.46) HTR7USP30UCHL1KDRHSD17B1
SCHEMBL21962876 0.70 USP30 (0.47) HTR7USP30UCHL1KDRERCC5
SCHEMBL17107113 0.68 RAB9A (0.52) USP30UCHL1HSD17B1HSD17B2
SCHEMBL27554467 0.68 KDR (0.44) USP30UCHL1KDRERCC5FEN1
SCHEMBL2410374 0.68 HSD17B1 (0.56) HTR7USP30KDRLOXL2HSD17B1
SCHEMBL146522 0.67 KDR (0.52) HTR7KDRERCC5FEN1GSTO1
SCHEMBL27778804 0.67 KDR (0.52) HTR7KDRERCC5FEN1GSTO1
SCHEMBL27570599 0.67 HSD17B1 (0.42) USP30UCHL1KDRERCC5FEN1

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-3394049-B1 CYANOPYRROLIDINE DERVIVATIVES AS INHBITORS FOR DUBS MISSION THERAPEUTICS LTD (GB) 2021-02-17 EP disclosed
WO-2017109488-A1 CYANOPYRROLIDINE DERVIVATIVES AS INHIBITORS FOR DUBS MISSION THERAPEUTICS LIMITED (GB) 2017-06-29 WO disclosed