SCHEMBL8245291

SCHEMBL8245291

CC(C)Sc1nc2c(o1)c(Cl)cc1c3c(c(=O)oc12)CCCC3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.44
KDM4E B2RXH2 11/20 0.44
HPGD P15428 8/20 0.44
GLA P06280 8/20 0.44
GAA P10253 8/20 0.44
HSD17B10 Q99714 9/20 0.43
MAPT P10636 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ATM Q13315 1/20 0.43
TSHR P16473 6/20 0.41
POLB P06746 2/20 0.41
CASP1 P29466 6/20 0.39
CASP7 P55210 6/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 4/20 0.37

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
SCHEMBL4711997 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL4712639 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL4708970 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL8244487 0.75 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL4708939 0.72 KDM4E (0.53) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL4711956 0.72 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL4710676 0.71 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL4708997 0.71 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL4712929 0.67 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL4711984 0.66 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGLAGAA

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-2007045876-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-04-26 WO disclosed