SCHEMBL6220558

SCHEMBL6220558

COc1cccc2c1N=CC(=O)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR5A P47898 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
PTGS2 P35354 1/20 0.37
CASP3 P42574 1/20 0.36
CASP6 P55212 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CYP19A1 P11511 2/20 0.36
AADAT Q8N5Z0 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL9052317 0.75 TRPA1 (0.38) TRPA1ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL8033003 0.74 ALDH1A1 (0.44) TRPA1ALDH1A1MAPTL3MBTL1DRD2
SCHEMBL21255695 0.72 HTR5A (0.42) KDM4EALDH1A1MAPTHTR5ADRD2
SCHEMBL5675310 0.71 ACHE (0.45) ALDH1A1MAPTACHEKMT2A
SCHEMBL29897990 0.70 HTR5A (0.41) KDM4EALDH1A1MAPTHTR5ADRD2
SCHEMBL915094 0.70 TRPA1 (0.40) TRPA1GAAKDM4EALDH1A1MAPT
SCHEMBL31061252 0.69 HTR5A (0.41) HTR5ADRD2DRD1DRD5DRD3
SCHEMBL25895759 0.69 HTR5A (0.41) HTR5ADRD2DRD1DRD5DRD3
SCHEMBL22137550 0.67 DRD2 (0.40) HTR5ADRD2DRD3PTGS2CYP19A1
SCHEMBL19603079 0.67 HTR5A (0.39) KDM4EALDH1A1MAPTHTR5ADRD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1034173-B1 METHOD FOR PRODUCING 8-METHOXY-QUINOLINE CARBOXYLIC ACIDS BAYER HEALTHCARE AG (DE) 2005-04-27 EP disclosed
EP-1034173-A2 METHOD FOR PRODUCING 8-METHOXY-QUINOLINE CARBOXYLIC ACIDS Bayer Aktiengesellschaft (DE) 2000-09-13 EP disclosed
WO-1999026940-A3 METHOD FOR PRODUCING 8-METHOXY-QUINOLINE CARBOXYLIC ACIDS BAYER AG (DE) 1999-08-12 WO disclosed
WO-1999026940-A2 METHOD FOR PRODUCING 8-METHOXY-QUINOLINE CARBOXYLIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 1999-06-03 WO disclosed