SCHEMBL17896017

SCHEMBL17896017

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TSHR P16473 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ POLB P06746 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL17895830 0.92 LMNA (0.32) LMNAUSP2TSHRKDM4EALDH1A1
SCHEMBL17896034 0.90 LMNA (0.35) LMNAUSP2TSHRKDM4EALDH1A1
SCHEMBL17896121 0.90 LMNA (0.34) LMNAUSP2TSHRKDM4EALDH1A1
SCHEMBL17895780 0.89 LMNA (0.34) LMNAUSP2TSHRKDM4EALDH1A1
SCHEMBL17896074 0.89 LMNA (0.32) LMNATSHRKDM4EALDH1A1
SCHEMBL17895832 0.88 USP2 (0.35) LMNAUSP2KDM4EALDH1A1PKM
SCHEMBL17895925 0.87 LMNA (0.33) LMNAUSP2TSHRKDM4EALDH1A1
SCHEMBL17896133 0.86 ALDH1A1 (0.36) LMNATSHRKDM4EALDH1A1POLB
SCHEMBL17895982 0.86 LMNA (0.31) LMNATSHRKDM4EALDH1A1
SCHEMBL17896071 0.86 ALDH1A1 (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