SCHEMBL7911564

SCHEMBL7911564

CC(C)(C)OC(=O)Nc1cccc(Cn2nc(C(=O)O)c3c2-c2ccc(OCc4cncnc4)cc2CC3)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 5/20 0.40
▸ NPY1R P25929 1/20 0.38
▸ AURKA O14965 2/20 0.36
▸ RPS6KB1 P23443 2/20 0.36
▸ LMNA P02545 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.35
▸ SIRT3 Q9NTG7 3/20 0.35
▸ GHSR Q92847 5/20 0.35
▸ SIRT1 Q96EB6 2/20 0.34
▸ MAOB P27338 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PTGER1 P34995 1/20 0.34

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
SCHEMBL7913265 0.94 SIRT2 (0.39) SIRT2NPY1RAURKARPS6KB1LMNA
SCHEMBL7903219 0.85 LMNA (0.38) LMNASMN1; SMN2NPSR1MAOBKDM4E
SCHEMBL7916990 0.85 LMNA (0.41) LMNASMN1; SMN2NPSR1MAOBKDM4E
SCHEMBL7916986 0.84 ALDH1A1 (0.46) AURKALMNASMN1; SMN2NPSR1KDM4E
SCHEMBL7911558 0.84 ALDH1A1 (0.40) AURKALMNASMN1; SMN2NPSR1MAOB
Hydrochloric Acid SCHEMBL7911590 0.83 ITGB3 (0.37) LMNASMN1; SMN2NPSR1MAOBKDM4E
SCHEMBL7903245 0.80 SMN1; SMN2 (0.44) LMNASMN1; SMN2NPSR1MAOBKDM4E
SCHEMBL7903260 0.80 SMN1; SMN2 (0.39) AURKALMNASMN1; SMN2NPSR1KDM4E
SCHEMBL7910597 0.80 ALDH1A1 (0.36) AURKALMNASMN1; SMN2NPSR1MAOB
SCHEMBL7911574 0.79 LMNA (0.43) AURKALMNASMN1; SMN2NPSR1KDM4E

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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