SCHEMBL28599209

SCHEMBL28599209

CC(C)(C)OC(=O)N1CCC(CNc2ncc(-c3ccccc3)s2)C1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.60
USP30 Q70CQ3 10/20 0.58
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
MKNK1 Q9BUB5 1/20 0.49
IRAK1 P51617 1/20 0.48
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
MMP1 P03956 1/20 0.47
MMP13 P45452 1/20 0.47
HPGDS O60760 1/20 0.46
UCHL1 P09936 1/20 0.46
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
BCHE P06276 1/20 0.44
HTR6 P50406 1/20 0.44

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
SCHEMBL19017744 1.00 ACKR3 (0.60) ACKR3USP30KDM4EPKMMKNK1
SCHEMBL18987073 0.86 USP30 (0.67) USP30MKNK1UCHL1
SCHEMBL18987075 0.86 USP30 (0.67) USP30MKNK1UCHL1
SCHEMBL28497363 0.85 MKNK1 (0.67) ACKR3USP30MKNK1MMP1MMP13
SCHEMBL19296045 0.85 MKNK1 (0.67) ACKR3USP30MKNK1MMP1MMP13
SCHEMBL14408031 0.78 CKS1B (0.56) ACKR3USP30KDM4EPKMMKNK1
SCHEMBL4593791 0.77 KDR (0.46) ACKR3USP30KDM4EPKMMKNK1
SCHEMBL23545071 0.76 USP30 (0.59) ACKR3USP30MKNK1MMP1MMP13
SCHEMBL20936958 0.76 USP30 (0.59) ACKR3USP30MKNK1MMP1MMP13
SCHEMBL29501551 0.76 USP30 (0.59) ACKR3USP30MKNK1MMP1MMP13

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-108368089-B Deubiquitinase inhibitor 特殊治疗有限公司 2021-07-06 CN disclosed