SCHEMBL6595804

SCHEMBL6595804

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ LMNA P02545 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ CHEK1 O14757 1/20 0.44
▸ DAPK3 O43293 1/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ MET P08581 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ FLT1 P17948 1/20 0.44
▸ LTK P29376 1/20 0.44
▸ GRK5 P34947 1/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ PRKX P51817 1/20 0.44
▸ NEK2 P51955 1/20 0.44
▸ LIMK1 P53667 1/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ ACVR1 Q04771 1/20 0.44
▸ TYRO3 Q06418 1/20 0.44
▸ PRKAA1 Q13131 1/20 0.44

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
SCHEMBL8108859 0.86 POLB (0.51) ALDH1A1LMNAL3MBTL1MAPTCHEK1
SCHEMBL8888591 0.85 ALDH1A1 (0.57) ALDH1A1LMNAL3MBTL1MAPTPOLB
SCHEMBL6593772 0.83 AR (0.56) ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL31423148 0.81 ALDH1A1 (0.52) ALDH1A1LMNAL3MBTL1MAPTPOLB
SCHEMBL17494267 0.81 ALDH1A1 (0.52) ALDH1A1LMNAL3MBTL1MAPTPOLB
SCHEMBL6605386 0.80 CHEK1 (0.49) CHEK1DAPK3PRKD3METPDGFRA
SCHEMBL31422770 0.79 ALDH1A1 (0.48) ALDH1A1LMNAL3MBTL1MAPTCDK5
SCHEMBL31544208 0.78 ALDH1A1 (0.52) ALDH1A1LMNAL3MBTL1MAPTPOLB
SCHEMBL25352364 0.77 ALDH1A1 (0.53) ALDH1A1LMNAMAPTPOLBGALR2
SCHEMBL670959 0.77 ALDH1A1 (0.57) ALDH1A1LMNAMAPTPOLBGALR2

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
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