SCHEMBL6565243

SCHEMBL6565243

CC(=O)c1nc2c(OC(C)C)cccc2cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.48
IRAK4 Q9NWZ3 2/20 0.40
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
LMNA P02545 2/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ACHE P22303 1/20 0.36
TLR8 Q9NR97 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL6567173 0.84 LMNA (0.49) MCHR1LMNARECQLMEN1POLB
SCHEMBL6565257 0.80 TTR (0.41) MEN1POLBKMT2AKDM4E
SCHEMBL6565264 0.77 MCHR1 (0.51) MCHR1MEN1KMT2ATLR8
SCHEMBL6564114 0.76 POLB (0.45) MCHR1LMNARECQLMEN1POLB
SCHEMBL6567192 0.76 MCHR1 (0.53) MCHR1LMNAMEN1KMT2ATLR8
SCHEMBL6565245 0.75 DAO (0.41) MEN1KMT2AALDH1A1MAOAMAOB
SCHEMBL6566232 0.73 MAPT (0.48) RECQLKMT2AALDH1A1MAOBCYP1A2
SCHEMBL8751176 0.72 CYP1A2 (0.39) MCHR1LMNARECQLMEN1KMT2A
SCHEMBL6565239 0.71 PDE3B (0.49) POLBKMT2AALDH1A1KDM4E
SCHEMBL472242 0.70 MAOB (0.50) LMNAMEN1KMT2AALDH1A1MAOA

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
EP-0765871-B1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors FIBROGEN INC (US) 2004-03-31 EP disclosed
EP-0765871-A1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-02 EP disclosed