SCHEMBL4708982

SCHEMBL4708982

O=c1oc2c([N+](=O)[O-])c(O)c(Cl)cc2c2c1CCCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.57
KDM4E B2RXH2 12/20 0.57
GLA P06280 10/20 0.57
GAA P10253 10/20 0.57
HPGD P15428 10/20 0.57
MAPT P10636 5/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
ATM Q13315 1/20 0.55
HSD17B10 Q99714 9/20 0.53
CASP1 P29466 7/20 0.53
CASP7 P55210 7/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 3/20 0.50
MAOB P27338 1/20 0.42
MAOA P21397 2/20 0.42

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
SCHEMBL4710577 0.83 ALDH1A1 (0.53) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL4709404 0.72 KDM4E (1.00) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL7533113 0.70 ALDH1A1 (0.46) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL4709931 0.69 KDM4E (1.00) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL6479574 0.68 ALDH1A1 (0.45) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL7534533 0.68 ALDH1A1 (0.49) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL4712929 0.68 ALDH1A1 (0.56) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL30465071 0.68 ALDH1A1 (0.65) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL4710620 0.68 ALDH1A1 (0.65) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL1406624 0.68 GPR35 (0.73) ALDH1A1KDM4EHPGDCYP1A2CYP2C9

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-1957475-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-08-20 EP disclosed
WO-2007045876-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-04-26 WO disclosed