SCHEMBL17895850

SCHEMBL17895850

O=C(O)c1c(O)c2c([nH]c1=O)-c1cnn(CCN3CCCC3)c1CCC2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ELANE P08246 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SIGMAR1 Q99720 6/20 0.31
▸ SPR P35270 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
Hydrochloric Acid SCHEMBL17895964 0.99 KDM4E (0.35) KDM4ETSHRELANELMNAMAPT
SCHEMBL17895886 0.91 ELANE (0.34) ELANELMNAMAPTSPR
SCHEMBL17895841 0.88 ELANE (0.32) ELANESPR
SCHEMBL17896114 0.86 HSD11B1 (0.36) KDM4ETSHRELANELMNAMAPT
SCHEMBL17896107 0.86 USP2 (0.34) KDM4ETSHRELANELMNAMAPT
SCHEMBL17896093 0.86 ALDH1A1 (0.38) KDM4EELANELMNAMAPTSPR
Hydrochloric Acid SCHEMBL17896096 0.85 ALDH1A1 (0.37) KDM4EELANESPR
SCHEMBL17896061 0.85 ALDH1A1 (0.37) KDM4EELANESPR
Hydrochloric Acid SCHEMBL17896128 0.84 ALDH1A1 (0.37) KDM4EELANESPR
SCHEMBL17901948 0.84 KDM4E (0.33) KDM4ETSHRELANELMNAMAPT

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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