SCHEMBL321959

SCHEMBL321959

CCCCOC(=O)c1c(O)c2c(Cl)c(C)ccc2[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ESR1 P03372 3/20 0.43
KDM5A P29375 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
FAAH O00519 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAP3K5 Q99683 1/20 0.42
APLNR P35414 1/20 0.41

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
SCHEMBL321442 0.93 MEN1 (0.45) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL1033018 0.89 KDM5A (0.53) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL321280 0.82 USP2 (0.44) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL322013 0.80 CA12 (0.41) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL1033282 0.78 GRIN2D (0.43) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL321963 0.76 KDM5A (0.54) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL7754979 0.75 KDM5A (0.53) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL7754982 0.74 KDM5A (0.52) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL7829858 0.72 MAPT (0.48) POLBMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL321856 0.72 KDM5A (0.44) MEN1KMT2APOLBMAPTSMN1; SMN2

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