SCHEMBL17895779

SCHEMBL17895779

Cc1nc2c(n1CCO)CCCc1c-2[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 2/20 0.33
▸ TSHR P16473 2/20 0.32
▸ MAPT P10636 3/20 0.31
▸ KDM4E B2RXH2 3/20 0.31
▸ GAA P10253 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SPR P35270 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30

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
SCHEMBL17896078 0.94 HTT (0.34) LMNAHTTTSHRMAPTKDM4E
SCHEMBL17895899 0.91 LMNA (0.33) LMNAHTTTSHRMAPTKDM4E
SCHEMBL17896153 0.89 LMNA (0.37) LMNAHTTTSHRMAPTKDM4E
SCHEMBL17896285 0.89 CRHBP (0.38) LMNAHTTTSHRMAPTKDM4E
SCHEMBL17895905 0.89 LMNA (0.34) LMNAHTTTSHRMAPTKDM4E
SCHEMBL17896001 0.88 ALDH1A1 (0.37) LMNATSHRMAPTKDM4EALDH1A1
SCHEMBL17895829 0.87 MAPT (0.34) LMNAHTTTSHRMAPTKDM4E
Hydrochloric Acid SCHEMBL17895974 0.87 ALDH1A1 (0.37) LMNATSHRMAPTKDM4EALDH1A1
SCHEMBL17895978 0.86 LMNA (0.34) LMNAHTTTSHRMAPTKDM4E
Trifluoroacetic Acid SCHEMBL17895971 0.86 LMNA (0.30) LMNAMAPT

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
WO-2016109706-A1 FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-07-07 — — WO claimed
WO-2016109706-A1 FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-07-07 — — WO disclosed
WO-2016109706-A1 FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-07-07 — — WO disclosed
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