SCHEMBL17895839

SCHEMBL17895839

Cn1ncc2c1CCCc1c-2[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.47
▸ PLK3 Q9H4B4 1/20 0.47
▸ SPR P35270 2/20 0.35
▸ USP2 O75604 2/20 0.34
▸ MAPT P10636 3/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ LMNA P02545 3/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ ELANE P08246 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ KDM4E B2RXH2 5/20 0.31
▸ HTT P42858 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL17896114 0.85 HSD11B1 (0.36) SPRUSP2MAPTLMNAALDH1A1
SCHEMBL17895886 0.85 ELANE (0.34) PLK1CSNK2A1PLK3SPRUSP2
SCHEMBL17896093 0.85 ALDH1A1 (0.38) PLK1CSNK2A1PLK3SPRMAPT
SCHEMBL17896061 0.85 ALDH1A1 (0.37) PLK1CSNK2A1PLK3SPRALDH1A1
Hydrochloric Acid SCHEMBL17896096 0.85 ALDH1A1 (0.37) PLK1CSNK2A1PLK3SPRALDH1A1
Hydrochloric Acid SCHEMBL17896128 0.84 ALDH1A1 (0.37) PLK1CSNK2A1PLK3SPRL3MBTL1
SCHEMBL17896107 0.83 USP2 (0.34) PLK1CSNK2A1PLK3SPRUSP2
SCHEMBL17895841 0.83 ELANE (0.32) SPRELANE
SCHEMBL17895850 0.83 KDM4E (0.35) SPRMAPTLMNAELANEKDM4E
Hydrochloric Acid SCHEMBL17895964 0.82 KDM4E (0.35) MAPTLMNAALDH1A1ELANEKDM4E

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-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
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