SCHEMBL7850899

SCHEMBL7850899

CCOC(=O)C(=CN)C(=O)C(Cl)=C(Cl)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.44
GLO1 Q04760 1/20 0.44
ALDH1A1 P00352 3/20 0.40
CYP2D6 P10635 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 6/20 0.36
LMNA P02545 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
DHODH Q02127 2/20 0.35
ALOX15 P16050 1/20 0.34
GAA P10253 3/20 0.33

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
SCHEMBL8692317 1.00 NPSR1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL7851160 0.81 NPSR1 (0.43) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL8698761 0.81 NPSR1 (0.43) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL1543791 0.80 NPSR1 (0.58) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL14224608 0.75 GLO1 (0.69) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL27877623 0.75 GLO1 (0.69) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL10986214 0.75 NPSR1 (0.52) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL14545783 0.73 NPSR1 (0.50) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL10208384 0.73 NPSR1 (0.50) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL24878512 0.72 NPSR1 (0.48) NPSR1GLO1ALDH1A1CYP2D6SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726270-B1 Derivatives of 1,6-naphthyridone carboxylic acids BAYER AG (DE) 2001-05-23 EP disclosed
US-5811433-A ANTIMICROBIALS BAYER AKTIENGESELLSCHAFT (DE) 1998-09-22 US disclosed
EP-0726270-A1 Derivatives of 1,6-naphthyridine carboxylic acids BAYER AG (DE) 1996-08-14 EP disclosed