SCHEMBL321963

SCHEMBL321963

CCOC(=O)c1c(O)c2c(CC)c(C)ccc2[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.54
KDM5B Q9UGL1 1/20 0.54
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAP3K5 Q99683 1/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.44
CSF1R P07333 1/20 0.44
APLNR P35414 1/20 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
SCHEMBL321856 0.91 KDM5A (0.44) KDM5AKDM5BCYP1A2CYP2C19MAP3K5
SCHEMBL1033018 0.86 KDM5A (0.53) KDM5AKDM5BMAP3K5LMNAALDH1A1
SCHEMBL7754979 0.86 KDM5A (0.53) KDM5AKDM5BMAP3K5LMNAALDH1A1
SCHEMBL7754982 0.85 KDM5A (0.52) KDM5AKDM5BMAP3K5LMNAALDH1A1
SCHEMBL7861387 0.83 KDM5A (0.50) KDM5AKDM5BMAP3K5LMNAALDH1A1
SCHEMBL7828505 0.81 KDM5A (0.48) KDM5AKDM5BMAP3K5LMNAALDH1A1
SCHEMBL16029767 0.78 MAP3K5 (0.60) KDM5AKDM5BMAP3K5MEN1POLB
SCHEMBL321442 0.78 MEN1 (0.45) KDM5AKDM5BMAP3K5MEN1POLB
SCHEMBL5188877 0.77 CYP1A2 (0.60) KDM5AKDM5BCYP1A2CYP2C19LMNA
SCHEMBL321543 0.77 MEN1 (0.45) KDM5AMAP3K5LMNAALDH1A1MEN1

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-2590949-A1 METHOD FOR MANUFACTURING OF QUINOLINE-3-CARBOXAMIDES Active Biotech AB (SE) 2013-05-15 EP disclosed
WO-2012004338-A1 METHOD FOR MANUFACTURING OF QUINOLINE-3-CARBOXAMIDES ACTIVE BIOTECH AB (SE) 2012-01-12 WO disclosed