SCHEMBL7913265

SCHEMBL7913265

COC(=O)c1nn(Cc2cccc(NC(=O)OC(C)(C)C)c2)c2c1CCc1cc(OCc3cncnc3)ccc1-2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 6/20 0.39
▸ NPY1R P25929 1/20 0.36
▸ SIRT3 Q9NTG7 5/20 0.36
▸ SIRT1 Q96EB6 4/20 0.36
▸ AURKA O14965 2/20 0.35
▸ RPS6KB1 P23443 2/20 0.35
▸ LMNA P02545 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ F2RL3 Q96RI0 1/20 0.35
▸ MAOB P27338 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ GPR84 Q9NQS5 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ RORC P51449 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
SCHEMBL7911564 0.94 SIRT2 (0.40) SIRT2NPY1RSIRT3SIRT1AURKA
SCHEMBL7903260 0.87 SMN1; SMN2 (0.39) AURKALMNASMN1; SMN2NPSR1KDM4E
SCHEMBL7911574 0.86 LMNA (0.43) AURKALMNASMN1; SMN2NPSR1KDM4E
SCHEMBL7903245 0.86 SMN1; SMN2 (0.44) LMNASMN1; SMN2NPSR1KDM4ETSHR
SCHEMBL7910547 0.85 HSD17B10 (0.38) AURKALMNASMN1; SMN2NPSR1KDM4E
SCHEMBL7911545 0.84 CCNA2 (0.38) AURKALMNASMN1; SMN2NPSR1KDM4E
SCHEMBL7916986 0.79 ALDH1A1 (0.46) AURKALMNASMN1; SMN2NPSR1KDM4E
SCHEMBL7913431 0.79 SMN1; SMN2 (0.47) LMNASMN1; SMN2NPSR1KDM4EHSD17B10
SCHEMBL7911558 0.79 ALDH1A1 (0.40) AURKALMNASMN1; SMN2NPSR1KDM4E
SCHEMBL7903219 0.78 LMNA (0.38) LMNASMN1; SMN2NPSR1KDM4ETSHR

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
US-6291485-B1 TREATMENT OF POST-PTCA RESTENOSIS TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-09-18 — — US disclosed
EP-1002797-A1 4,5-DIHYDRO- 1H]-BENZ g]INDAZOLE-3-CARBOXYLIC ACID DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2000-05-24 — — EP disclosed
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