SCHEMBL17896285

SCHEMBL17896285

Cc1nc2c(n1CCN(C)C)CCCc1c-2[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ LMNA P02545 2/20 0.32
▸ KDM4E B2RXH2 3/20 0.31
▸ TSHR P16473 1/20 0.31
▸ PARP1 P09874 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL17896001 0.95 ALDH1A1 (0.37) CRHBPCRHR2HIF1AALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL17895773 0.95 CRHBP (0.35) CRHBPCRHR2HIF1AALDH1A1MAPT
Hydrochloric Acid SCHEMBL17895974 0.94 ALDH1A1 (0.37) CRHBPCRHR2HIF1AALDH1A1MAPT
SCHEMBL17895779 0.89 LMNA (0.34) ALDH1A1MAPTLMNAKDM4ETSHR
SCHEMBL17895899 0.88 LMNA (0.33) ALDH1A1MAPTLMNAKDM4ETSHR
SCHEMBL17896078 0.87 HTT (0.34) ALDH1A1MAPTLMNAKDM4ETSHR
SCHEMBL17896153 0.87 LMNA (0.37) ALDH1A1MAPTLMNAKDM4ETSHR
SCHEMBL17895905 0.86 LMNA (0.34) ALDH1A1MAPTLMNAKDM4ETSHR
SCHEMBL17895829 0.85 MAPT (0.34) ALDH1A1MAPTLMNAKDM4ETSHR
SCHEMBL17895978 0.83 LMNA (0.34) ALDH1A1MAPTLMNAKDM4ETSHR

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