SCHEMBL17896050

SCHEMBL17896050

CCn1nc2c(n1)-c1[nH]c(=O)c(C(=O)O)c(O)c1CCC2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.36
▸ KDM4E B2RXH2 6/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ TSHR P16473 3/20 0.35
▸ PKM P14618 1/20 0.35
▸ POLB P06746 6/20 0.33
▸ USP2 O75604 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ SPR P35270 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NPC1 O15118 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ PARP1 P09874 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
SCHEMBL17896153 0.76 LMNA (0.37) LMNAKDM4EALDH1A1TSHRPKM
SCHEMBL17895939 0.75 PARP1 (0.36) LMNAKDM4EALDH1A1TSHRPKM
SCHEMBL17896121 0.75 LMNA (0.34) LMNAKDM4EALDH1A1TSHRPKM
SCHEMBL17895780 0.74 LMNA (0.34) LMNAKDM4EALDH1A1TSHRPKM
SCHEMBL17896079 0.73 LMNA (0.35) LMNAKDM4EALDH1A1TSHRPKM
SCHEMBL17895925 0.72 LMNA (0.33) LMNAKDM4EALDH1A1TSHRPKM
SCHEMBL17896052 0.72 LMNA (0.31) LMNAKDM4EALDH1A1TSHRPKM
SCHEMBL17895779 0.72 LMNA (0.34) LMNAKDM4EALDH1A1TSHRPKM
SCHEMBL17895813 0.72 LMNA (0.31) LMNAKDM4EALDH1A1TSHRPKM
SCHEMBL17896071 0.72 ALDH1A1 (0.34) LMNAKDM4EALDH1A1TSHRPKM

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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