SCHEMBL8655870

SCHEMBL8655870

COC(=O)CC(=O)C(Cl)(Cl)C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.53
CES1 P23141 3/20 0.45
TSHR P16473 1/20 0.44
AKT1 P31749 1/20 0.42
POLB P06746 2/20 0.40
ESRRB O95718 1/20 0.40
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.37
KCNN4 O15554 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL6065169 0.79 SRC (0.65) SRCCES1TSHRPOLBKMT2A
SCHEMBL11183801 0.75 CES1 (0.58) SRCCES1TSHRPOLBKMT2A
SCHEMBL8655862 0.73 KMT2A (0.52) SRCCES1TSHRPOLBKMT2A
SCHEMBL5183124 0.72 SRC (0.51) SRCCES1TSHRAKT1POLB
SCHEMBL275775 0.72 KMT2A (0.67) CES1TSHRAKT1POLBKMT2A
SCHEMBL8072394 0.72 TSHR (0.56) SRCCES1TSHRAKT1POLB
SCHEMBL8674719 0.72 CES1 (0.54) SRCCES1TSHRPOLBKMT2A
SCHEMBL8675207 0.71 PIN1 (0.50) SRCCES1TSHRPOLBKMT2A
SCHEMBL29035576 0.71 KMT2A (0.64) CES1TSHRAKT1POLBKMT2A
SCHEMBL11376485 0.70 HDAC3 (0.52) CES1TSHRPOLBESRRBKMT2A

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