SCHEMBL2826091

SCHEMBL2826091

Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 1.00
MAPT P10636 2/20 1.00
GAA P10253 1/20 1.00
SMN1; SMN2 Q16637 4/20 0.69
HTT P42858 4/20 0.68
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
LMNA P02545 1/20 0.64
KDM4E B2RXH2 1/20 0.56
FABP3 P05413 1/20 0.55
FABP4 P15090 1/20 0.55
PRNP P04156 1/20 0.55
PPARG P37231 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
NR2E3 Q9Y5X4 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
ALDH1A1 P00352 4/20 0.53
TP53 P04637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TACR1 P25103 1/20 0.52

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
SCHEMBL27658279 0.87 GAA (0.77) NPSR1MAPTGAASMN1; SMN2HTT
SCHEMBL2822088 0.86 MAPT (0.75) NPSR1MAPTGAASMN1; SMN2HTT
SCHEMBL30079692 0.86 MAPT (0.75) NPSR1MAPTGAASMN1; SMN2HTT
SCHEMBL2821515 0.83 RXFP1 (0.81) NPSR1MAPTGAASMN1; SMN2HTT
SCHEMBL28879006 0.81 MAPT (0.68) NPSR1MAPTGAASMN1; SMN2HTT
SCHEMBL28958192 0.81 MAPT (0.68) NPSR1MAPTGAASMN1; SMN2HTT
SCHEMBL2821858 0.81 MAPT (0.68) NPSR1MAPTGAASMN1; SMN2HTT
SCHEMBL2821517 0.80 NPSR1 (0.67) NPSR1MAPTGAASMN1; SMN2HTT
SCHEMBL5505353 0.80 SMN1; SMN2 (0.97) NPSR1MAPTGAASMN1; SMN2HTT
SCHEMBL31442528 0.80 SMN1; SMN2 (0.97) NPSR1MAPTGAASMN1; SMN2HTT

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-1809605-B1 QUINOLINES AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-11 EP claimed
CN-114249689-A Synthetic method of benzoyl quinoline compound 温州大学 2022-03-29 CN disclosed