SCHEMBL5352128

SCHEMBL5352128

NC1CCCN(NC(=O)Nc2ncc(-c3ccccc3)s2)C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 8/20 0.55
MKNK1 Q9BUB5 1/20 0.53
UCHL1 P09936 1/20 0.52
KDR P35968 2/20 0.49
CNR2 P34972 1/20 0.48
CNR1 P21554 1/20 0.48
GSTO1 P78417 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CDK5 Q00535 1/20 0.46
SCD O00767 1/20 0.46
ACP1 P24666 1/20 0.44
CYP3A4 P08684 1/20 0.43
AURKA O14965 1/20 0.43
FLT3 P36888 1/20 0.43
OTUD7B Q6GQQ9 1/20 0.43

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
SCHEMBL5352132 1.00 USP30 (0.55) USP30MKNK1UCHL1KDRCNR2
SCHEMBL5352138 1.00 USP30 (0.55) USP30MKNK1UCHL1KDRCNR2
SCHEMBL5353583 0.94 MKNK1 (0.55) USP30MKNK1UCHL1KDRCNR2
SCHEMBL5354171 0.94 MKNK1 (0.55) USP30MKNK1UCHL1KDRCNR2
SCHEMBL5353588 0.94 MKNK1 (0.55) USP30MKNK1UCHL1KDRCNR2
SCHEMBL5367612 0.87 MKNK1 (0.57) USP30MKNK1UCHL1KDRCNR2
SCHEMBL14408016 0.83 CNR2 (0.63) USP30MKNK1UCHL1KDRCNR2
SCHEMBL5354063 0.81 MKNK1 (0.64) USP30MKNK1UCHL1KDRCNR2
SCHEMBL5359220 0.80 MKNK1 (0.57) USP30MKNK1UCHL1KDRCNR2
SCHEMBL14408019 0.79 CNR2 (0.66) USP30MKNK1UCHL1KDRCNR2

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
US-7265134-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-09-04 US disclosed