SCHEMBL23615801

SCHEMBL23615801

CC(C)n1cc(C(=O)O)c(N)nc1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 7/20 0.35
TBK1 Q9UHD2 7/20 0.35
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 1/20 0.35
ABCC4 O15439 1/20 0.35
TTR P02766 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRD1 P41143 1/20 0.35
RAB9A P51151 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3A Q14432 1/20 0.35
GPR35 Q9HC97 1/20 0.35
GABRP O00591 4/20 0.35
GABRD O14764 4/20 0.35
GABRA1 P14867 4/20 0.35
GABRB1 P18505 4/20 0.35
GABRG2 P18507 4/20 0.35
GABRB3 P28472 4/20 0.35

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
SCHEMBL19310470 0.77 GABRP (0.38) IKBKETBK1KDM4ENPC1ABCC4
SCHEMBL12206794 0.75 ADORA2A (0.36) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL18699041 0.75 NAPRT (0.36) IKBKETBK1KDM4EGABRPGABRD
SCHEMBL21636943 0.74 ABCC4 (0.34) IKBKETBK1KDM4ENPC1ABCC4
SCHEMBL18287861 0.74 CDK1 (0.34) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL29189702 0.74 KDM4E (0.36) IKBKETBK1KDM4EGABRPGABRD
SCHEMBL24538994 0.74 TET2 (0.40) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL10137844 0.74 ADORA2A (0.38) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL10137834 0.74 CDK1 (0.34) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL19310476 0.73 LMNA (0.47) KDM4EABCC4PKMRAB9AGABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043577-A1 METHOD FOR DETERMINING 5-METHYLCYTOSINE CONFIGURATIONS IN DNA TECHNISCHE UNIVERSITAET DORTMUND (DE) 2023-02-09 US disclosed
US-20210324436-A1 METHODS AND REAGENTS FOR SYNTHESISING POLYNUCLEOTIDE MOLECULES OXFORD NANOPORE TECHNOLOGIES LIMITED (GB) 2021-10-21 US disclosed
EP-3845554-A1 METHOD FOR DETERMINING 5-METHYLCYTOSINE CONFIGURATIONS IN DNA Technische Universität Dortmund (DE) 2021-07-07 EP disclosed