SCHEMBL29954544

SCHEMBL29954544

CCNC(=O)c1cc(N2CCCC(C=O)C2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.50
▸ ACACB O00763 6/20 0.39
▸ TP53BP1 Q12888 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ HRH4 Q9H3N8 6/20 0.38
▸ DGAT2 Q96PD7 2/20 0.38
▸ NUDT1 P36639 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
SCHEMBL15330360 0.88 USP30 (0.45) USP30ACACBTP53BP1HRH4
SCHEMBL29951919 0.87 USP30 (0.48) USP30ACACBTP53BP1PARP1
SCHEMBL2562359 0.83 USP30 (0.41) USP30TP53BP1HRH4
SCHEMBL29953644 0.78 USP30 (0.45) USP30ACACBPARP1NUDT1
SCHEMBL2563476 0.74 USP30 (0.43) USP30ACACBTP53BP1HRH4
SCHEMBL4687065 0.71 CHKA (0.52) KDM4E
SCHEMBL2563048 0.68 USP30 (0.39) USP30TP53BP1
SCHEMBL18135099 0.68 NFKB1 (0.51) USP30TP53BP1PARP1HRH4
SCHEMBL10225678 0.68 KDM4E (0.41) KDM4E
SCHEMBL10224847 0.67 ALDH1A1 (0.31) —

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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