SCHEMBL24258088

SCHEMBL24258088

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(-c3noc(Cc4ccc(Cl)c(Cl)c4)n3)cn2)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.47
PARP1 P09874 4/20 0.43
PARP2 Q9UGN5 4/20 0.43
WNT3A P56704 2/20 0.43
CDK9 P50750 1/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC8 Q9BY41 1/20 0.41
USP30 Q70CQ3 1/20 0.40
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
NTRK1 P04629 1/20 0.39
JAK1 P23458 1/20 0.39
MAPT P10636 1/20 0.38
GLP1R P43220 1/20 0.38

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
SCHEMBL24258020 1.00 GPR119 (0.47) GPR119PARP1PARP2WNT3ACDK9
SCHEMBL26004922 0.84 ABL1 (0.44) HDAC6HDAC8
SCHEMBL24258085 0.80 TLR9 (0.43) CDK9
SCHEMBL26004989 0.78 ERCC1 (0.44) MAPT
SCHEMBL24258081 0.77 ERCC1 (0.45) HDAC8MAPT
SCHEMBL26006548 0.76 LMNA (0.41) GSK3BDYRK1AMAPT
SCHEMBL22280443 0.71 HDAC6 (0.49) GPR119HDAC6HDAC4HDAC8USP30
SCHEMBL889063 0.71 PTPN2 (0.54) PARP1PARP2PTPN2PTPN1PTPN6
SCHEMBL609646 0.71 GPR119 (0.73) GPR119PTPN2PTPN1PTPN6HDAC6
SCHEMBL29496349 0.71 SPHK1 (0.50) GPR119HDAC6HDAC4

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
WO-2022035805-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-17 WO disclosed