SCHEMBL30805802

SCHEMBL30805802

C[C@H](CO)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
LMNA P02545 2/20 0.51
ALDH1A1 P00352 6/20 0.46
HTT P42858 2/20 0.46
GAA P10253 2/20 0.46
TNF P01375 1/20 0.46
TP53 P04637 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
NFKB1 P19838 1/20 0.45
APEX1 P27695 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 1/20 0.44

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
SCHEMBL3065790 1.00 TDP1 (0.62) TDP1LMNAALDH1A1HTTGAA
SCHEMBL29445081 1.00 TDP1 (0.62) TDP1LMNAALDH1A1HTTGAA
SCHEMBL30805793 1.00 TDP1 (0.62) TDP1LMNAALDH1A1HTTGAA
SCHEMBL4106122 1.00 TDP1 (0.62) TDP1LMNAALDH1A1HTTGAA
SCHEMBL5194206 1.00 TDP1 (0.62) TDP1LMNAALDH1A1HTTGAA
SCHEMBL31472070 0.87 TDP1 (0.53) TDP1LMNAALDH1A1HTTGAA
SCHEMBL5274508 0.85 TDP1 (0.56) TDP1LMNAALDH1A1HTTGAA
SCHEMBL14833236 0.85 TDP1 (0.59) TDP1LMNAALDH1A1HTTGAA
SCHEMBL29445097 0.85 TDP1 (0.59) TDP1LMNAALDH1A1HTTGAA
SCHEMBL4910827 0.85 TDP1 (0.59) TDP1LMNAALDH1A1HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024032755-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2024-02-15 WO disclosed
WO-2024032776-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2024-02-15 WO disclosed