SCHEMBL8634451

SCHEMBL8634451

COC(=O)CC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.59
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
GLA P06280 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.42
POLB P06746 2/20 0.41
NLRP3 Q96P20 1/20 0.41
LMNA P02545 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL8634360 0.91 FEN1 (0.54) FEN1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2070130 0.88 MEN1 (0.58) FEN1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL17844004 0.84 NLRP3 (0.55) FEN1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL8658751 0.80 ERCC5 (0.63) FEN1SMN1; SMN2KMT2AMEN1PKM
SCHEMBL30335736 0.79 ERCC5 (0.61) FEN1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL853580 0.79 ERCC5 (0.61) FEN1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL28166467 0.78 FEN1 (0.71) FEN1ALDH1A1KMT2AMEN1HPGD
SCHEMBL10661343 0.77 CES2 (0.48) SMN1; SMN2KMT2AMEN1POLBNLRP3
SCHEMBL19849257 0.77 CA12 (0.57) ALDH1A1SMN1; SMN2KMT2ACA12CA1
SCHEMBL8280364 0.77 GLA (0.63) ALDH1A1SMN1; SMN2KMT2AMEN1GLA

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-0519140-B1 Method for the preparation of substituted 1,4-dihydro-4-oxo-cinnoline-3-carboxylic acids, esters and salts thereof, and intermediates used in this method HYBRINOVA (FR) 1998-07-29 EP disclosed
US-5304672-A Intermediates for pollen suppressants ORSAN (FR) 1994-04-19 US disclosed
US-5183891-A Method for the preparation of substituted 1,4-dihydro-4-oxo-cinnoline-3-carboxylic acid, esters and salts thereof, and intermediates used in their preparation ORSAN (FR) 1993-02-02 US disclosed
EP-0519140-A1 Method for the preparation of substituted 1,4-dihydro-4-oxo-cinnoline-3-carboxylic acid, esters and salts thereof, and intermediates used in their preparation HYBRINOVA (FR) 1992-12-23 EP disclosed