SCHEMBL6594763

SCHEMBL6594763

CCOC(=O)c1cc2cc(N)c(C(F)(F)F)cc2[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
GAA P10253 2/20 0.43
KDM4E B2RXH2 5/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
PARP1 P09874 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GLA P06280 1/20 0.41
ATM Q13315 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
SCHEMBL6593772 0.82 AR (0.56) L3MBTL1ALDH1A1LMNAMAPTPARP1
SCHEMBL6602046 0.79 KDM4E (0.43) ALDH1A1KDM4EPARP1NPSR1
SCHEMBL8888591 0.78 ALDH1A1 (0.57) L3MBTL1ALDH1A1LMNAMAPTGAA
SCHEMBL5114852 0.78 KDM4E (0.53) L3MBTL1ALDH1A1LMNAMAPTGAA
SCHEMBL26617566 0.78 KDM4E (0.53) L3MBTL1ALDH1A1LMNAMAPTGAA
SCHEMBL30681975 0.78 KDM4E (0.53) L3MBTL1ALDH1A1LMNAMAPTGAA
SCHEMBL31423182 0.78 KDM4E (0.53) L3MBTL1ALDH1A1LMNAMAPTGAA
SCHEMBL2309931 0.76 ALDH1A1 (0.57) L3MBTL1ALDH1A1LMNAMAPTGAA
SCHEMBL31345632 0.76 ALDH1A1 (0.57) L3MBTL1ALDH1A1LMNAMAPTGAA
SCHEMBL6596943 0.75 GRIA1 (0.60)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156044-B1 6-SUBSTITUTED HETEROQUINOLINECARBOXYLIC ACID DERIVATIVES AND ADDITION SALTS THEREOF AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN SEIYAKU KK (JP) 2004-08-25 EP disclosed
US-6562839-B1 Effective for the therapy of disorder of cerebral nerve cells as antagonists against excitatory amino acid receptors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2003-05-13 US disclosed
EP-1156044-A1 6-SUBSTITUTED HETEROQUINOLINECARBOXYLIC ACID DERIVATIVES AND ADDITION SALTS THEREOF AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP disclosed