SCHEMBL28680929

SCHEMBL28680929

CC(C)(C)OC(=O)N1CCN(c2ncc(CCNC(=O)OCc3ccccc3)cc2Cl)CC1c1ncc(CCNC(=O)OCc2ccccc2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.43
ABCB1 P08183 1/20 0.41
MAPT P10636 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CXCR3 P49682 1/20 0.38
PDE1B Q01064 1/20 0.38
NR1H2 P55055 3/20 0.37
NR1H3 Q13133 3/20 0.37
KLK7 P49862 1/20 0.37
KLK5 Q9Y337 1/20 0.37
PTPN1 P18031 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
GHSR Q92847 4/20 0.37
HDAC1 Q13547 1/20 0.36
USP28 Q96RU2 1/20 0.36
USP25 Q9UHP3 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL19212401 0.85 P2RY12 (0.54) P2RY12KEAP1NFE2L2
SCHEMBL19212409 0.77 P2RY12 (0.57) P2RY12MAPTCXCR3PDE1BUSP28
SCHEMBL28931799 0.76 NR1H2 (0.51) ABCB1MAPTHDAC8NR1H2NR1H3
SCHEMBL21457818 0.74 BACE1 (0.48) MAPTKEAP1NFE2L2SMN1; SMN2
SCHEMBL28697404 0.73 ABCB1 (0.43) ABCB1MAPTNR1H2NR1H3PTPN1
SCHEMBL28683481 0.72 PDK1 (0.39) MAPTSMN1; SMN2
SCHEMBL29578198 0.72 KEAP1 (0.42) ABCB1MAPTKEAP1NFE2L2HDAC1
SCHEMBL19210927 0.72 KEAP1 (0.42) ABCB1MAPTKEAP1NFE2L2HDAC1
SCHEMBL28672741 0.71 KEAP1 (0.41) ABCB1MAPTKEAP1NFE2L2SMN1; SMN2
SCHEMBL28690482 0.70 SIGMAR1 (0.51) MAPTNR1H2NR1H3

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-109071560-B Thienopyridine carboxamides as ubiquitin-specific protease inhibitors 瓦洛健康公司 2022-01-14 CN disclosed