SCHEMBL30184061

SCHEMBL30184061

COCCC1(OC)C(=O)N(C)c2cc(C(=O)OC)c([N+](=O)[O-])cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.39
▸ PDGFRB P09619 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ MAPT P10636 4/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PTGER4 P35408 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
SCHEMBL23577862 1.00 SIRT6 (0.39) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL23577725 0.89 SIRT6 (0.40) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL30183870 0.84 KDM4E (0.38) ALDH1A1MAPTKDM4EPKMKMT2A
SCHEMBL23578147 0.84 KDM4E (0.38) ALDH1A1MAPTKDM4EPKMKMT2A
SCHEMBL23578343 0.81 SIRT6 (0.44) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL30183682 0.80 SIRT6 (0.43) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL23591009 0.78 ALDH1A1 (0.40) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL28965721 0.77 ALDH1A1 (0.40) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL23591103 0.77 KRAS (0.34) HTTTDP1
SCHEMBL29267771 0.77 SIRT6 (0.39) SIRT6PDGFRBFGFR1PDGFRAFLT1

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-115605476-A Substituted tricyclic compounds 鲁宾有限公司(IN) 2023-01-13 — — CN disclosed
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