SCHEMBL10045010

SCHEMBL10045010

CCc1cccc2c1C(=O)C(=O)C(=O)N2C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.47
CES1 P23141 1/20 0.47
MGLL Q99685 1/20 0.42
TP53 P04637 2/20 0.40
LMNA P02545 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
DRD3 P35462 1/20 0.38
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
ANPEP P15144 1/20 0.36
DPP4 P27487 1/20 0.36
CASP3 P42574 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL28074698 0.95 TTR (0.48) TTRCES1MGLLTP53LMNA
SCHEMBL14901093 0.82 TP53 (0.38) TTRCES1MGLLTP53LMNA
SCHEMBL28490612 0.78 NR1H2 (0.54) TTRCES1ALDH1A1
SCHEMBL9728198 0.75 MGLL (0.42) MGLLTP53LMNAMEN1KMT2A
SCHEMBL13607734 0.74 PARP1 (0.40) TTRCES1LMNAMEN1KMT2A
SCHEMBL7756746 0.72 TTR (0.52) TTRCES1MGLLLMNAMEN1
SCHEMBL13671328 0.70 MEN1 (0.60) MEN1KMT2AMAPTANPEPDPP4
SCHEMBL2290914 0.70 TTR (0.50) TTRCES1MGLLMEN1KMT2A
SCHEMBL21848273 0.70 TTR (0.50) TTRCES1MGLLMEN1KMT2A
SCHEMBL15206754 0.70 TTR (0.50) TTRCES1MGLLLMNAMEN1

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-2012004338-A1 METHOD FOR MANUFACTURING OF QUINOLINE-3-CARBOXAMIDES ACTIVE BIOTECH AB (SE) 2012-01-12 WO disclosed