SCHEMBL322013

SCHEMBL322013

Cc1ccc2[nH]c(=O)c(C(=O)OC(C)C)c(O)c2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
CDK1 P06493 1/20 0.39

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
SCHEMBL321280 0.87 USP2 (0.44) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL1033018 0.85 KDM5A (0.53) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL1033282 0.82 GRIN2D (0.43) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL321442 0.81 MEN1 (0.45) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL321959 0.80 MEN1 (0.43) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL7558468 0.73 GPBAR1 (0.38) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL7557817 0.73 GPBAR1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7818937 0.73 PTGS2 (0.44) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL322275 0.71 USP2 (0.44) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL7829858 0.70 MAPT (0.48) MAPTSMN1; SMN2POLBKDM4EALDH1A1

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