SCHEMBL28722437

SCHEMBL28722437

CCOC(=O)c1nc(Cl)nc2ncn(COCC[Si](C)(C)C)c12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 2/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
DGAT1 O75907 7/20 0.36
NPC1 O15118 2/20 0.35
TP53 P04637 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TLR9 Q9NR96 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL28722480 0.82 CD38 (0.37) DGAT1MAPK1KDM4E
SCHEMBL9928488 0.81 DGAT1 (0.36) MAPTDGAT1
SCHEMBL31138390 0.81 DGAT1 (0.36) MAPTDGAT1
SCHEMBL14255842 0.79 ALDH1A1 (0.44) TARBP2MAPTALDH1A1DGAT1NPC1
SCHEMBL24224456 0.77 DGAT1 (0.33) DGAT1
SCHEMBL3528543 0.77 MAPT (0.43) MAPTALDH1A1DGAT1NPC1RAB9A
SCHEMBL27094264 0.74 ALDH1A1 (0.38) MAPTALDH1A1DGAT1MAPK1HSD17B10
SCHEMBL4798379 0.72 ALDH1A1 (0.46) TARBP2MAPTALDH1A1DGAT1NPC1
SCHEMBL16100174 0.72 DGAT1 (0.38) TARBP2MAPTALDH1A1DGAT1MAPK1
SCHEMBL3023087 0.72 DGAT1 (0.38) MAPTALDH1A1DGAT1HSD17B10KDM4E

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
CN-119431323-A Heterobicyclic amides as CD38 inhibitors 贝林格尔·英格海姆国际有限公司 2025-02-14 CN disclosed
CN-114423753-B Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2024-09-17 CN disclosed
CN-114423753-A Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2022-04-29 CN disclosed