SCHEMBL9840749

SCHEMBL9840749

O=C(O)CC(NCC=CCl)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MME P08473 2/20 0.33
CASP3 P42574 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HDAC2 Q92769 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL11499007 0.82 CA2 (0.38) CA2CA4FNTAFNTBTDP1
SCHEMBL15313369 0.81 FOLH1 (0.48) FNTAFNTBGAA
SCHEMBL167388 0.81 CA2 (0.37) CA2CA4FNTAFNTBTDP1
SCHEMBL3079588 0.77 CA2 (0.45) CA2CA4FNTAFNTBTDP1
SCHEMBL28882688 0.76 CA2 (0.39) CA2CA4FNTAFNTBTDP1
SCHEMBL176161 0.76 CA2 (0.39) CA2CA4FNTAFNTBTDP1
SCHEMBL28882690 0.76 CA2 (0.39) CA2CA4FNTAFNTBTDP1
SCHEMBL176159 0.76 CA2 (0.39) CA2CA4FNTAFNTBTDP1
SCHEMBL8994505 0.74 CA2 (0.38) CA2CA4FNTAFNTBTDP1
SCHEMBL5825896 0.72 CA2 (0.45) CA2CA4TDP1MMESMN1; SMN2

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
US-5001254-A Novel method for the preparation of quinoline-2,3-dicarboxylic AMERICAN CYANAMID COMPANY 1991-03-19 US disclosed
EP-0262305-B1 METHOD FOR THE PREPARATION OF ANILINOFUMARATE AND QUINOLINE-2,3-DICARBOXYLIC ACID AMERICAN CYANAMID COMPANY (US) 1990-10-31 EP disclosed
US-4766218-A CYCLIZATION OF DICHLOROSUCCINATE WITH AMINE AMERICAN CYANAMID COMPANY (US) 1988-08-23 US disclosed
EP-0262305-A1 Method for the preparation of anilinofumarate and quinoline-2,3-dicarboxylic acid AMERICAN CYANAMID COMPANY (US) 1988-04-06 EP disclosed