SCHEMBL17896052

SCHEMBL17896052

CCn1c(C[S+](C)[O-])nc2c1CCCc1c-2[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PKM P14618 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
SCHEMBL17895813 0.92 LMNA (0.31) LMNATSHRKDM4EALDH1A1PKM
SCHEMBL17896121 0.88 LMNA (0.34) LMNATSHRKDM4EALDH1A1PKM
SCHEMBL17895780 0.87 LMNA (0.34) LMNATSHRKDM4EALDH1A1PKM
SCHEMBL17895925 0.85 LMNA (0.33) LMNATSHRKDM4EALDH1A1PKM
SCHEMBL17896005 0.85 KDM4E (0.34) LMNATSHRKDM4EALDH1A1PKM
SCHEMBL17896017 0.85 LMNA (0.34) LMNATSHRKDM4EALDH1A1PKM
SCHEMBL17896063 0.85 TSHR (0.35) LMNATSHRKDM4EALDH1A1PKM
SCHEMBL17896071 0.85 ALDH1A1 (0.34) LMNATSHRKDM4EALDH1A1PKM
SCHEMBL17895973 0.84 LMNA (0.32) LMNATSHRKDM4EALDH1A1PKM
Hydrochloric Acid SCHEMBL17896047 0.84 TSHR (0.34) LMNATSHRKDM4EALDH1A1PKM

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
Send feedback