SCHEMBL17896121

SCHEMBL17896121

CCc1nc2c(n1CC)CCCc1c-2[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.34
▸ KDM4E B2RXH2 5/20 0.34
▸ TSHR P16473 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPT P10636 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ POLB P06746 4/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TDP1 Q9NUW8 3/20 0.31
▸ NR4A1 P22736 2/20 0.31
▸ PTPN7 P35236 2/20 0.31
▸ RECQL P46063 2/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ APOBEC3A P31941 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL17895780 0.93 LMNA (0.34) LMNAKDM4ETSHRALDH1A1MAPT
SCHEMBL17895925 0.91 LMNA (0.33) LMNAKDM4ETSHRALDH1A1MAPT
SCHEMBL17896017 0.90 LMNA (0.34) LMNAKDM4ETSHRALDH1A1MAPT
SCHEMBL17896005 0.90 KDM4E (0.34) LMNAKDM4ETSHRALDH1A1MAPT
SCHEMBL17896071 0.90 ALDH1A1 (0.34) LMNAKDM4ETSHRALDH1A1PKM
SCHEMBL17896063 0.90 TSHR (0.35) LMNAKDM4ETSHRALDH1A1MAPT
SCHEMBL17895973 0.89 LMNA (0.32) LMNAKDM4ETSHRALDH1A1PKM
Hydrochloric Acid SCHEMBL17896047 0.89 TSHR (0.34) LMNAKDM4ETSHRALDH1A1MAPT
Hydrochloric Acid SCHEMBL17895890 0.89 ALDH1A1 (0.33) LMNAKDM4ETSHRALDH1A1PKM
Hydrochloric Acid SCHEMBL17896027 0.89 ALDH1A1 (0.33) LMNAKDM4ETSHRALDH1A1MAPT

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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