SCHEMBL17895886

SCHEMBL17895886

O=C(O)c1c(O)c2c([nH]c1=O)-c1cnn(CCO)c1CCC2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.34
▸ HTT P42858 1/20 0.32
▸ SPR P35270 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ PLK1 P53350 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.31
▸ PLK3 Q9H4B4 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ IKBKB O14920 1/20 0.31
▸ USP2 O75604 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
SCHEMBL17895841 0.95 ELANE (0.32) ELANESPR
SCHEMBL17895850 0.91 KDM4E (0.35) ELANESPRMAPTLMNA
Hydrochloric Acid SCHEMBL17895964 0.90 KDM4E (0.35) ELANEMAPTLMNA
SCHEMBL17896114 0.89 HSD11B1 (0.36) ELANEHTTSPRMAPTLMNA
SCHEMBL17896107 0.89 USP2 (0.34) ELANEHTTSPRMAPTPLK1
SCHEMBL17896093 0.89 ALDH1A1 (0.38) ELANESPRMAPTPLK1CSNK2A1
Hydrochloric Acid SCHEMBL17896096 0.88 ALDH1A1 (0.37) ELANESPRPLK1CSNK2A1PLK3
SCHEMBL17896061 0.88 ALDH1A1 (0.37) ELANESPRPLK1CSNK2A1PLK3
SCHEMBL17901948 0.87 KDM4E (0.33) ELANEHTTSPRMAPTLMNA
SCHEMBL17896048 0.87 USP2 (0.33) ELANEHTTSPRMAPTL3MBTL1

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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