SCHEMBL9877113

SCHEMBL9877113

CCOC(=O)Cn1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
MAPK14 Q16539 3/20 0.50
POLB P06746 1/20 0.49
PTGS2 P35354 2/20 0.47
FAAH O00519 1/20 0.47
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 3/20 0.43
MAPK13 O15264 1/20 0.43
CSNK1D P48730 1/20 0.43
CSNK1E P49674 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
GABRA2 P47869 1/20 0.43

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
SCHEMBL8629926 0.91 PTGS2 (0.61) GAAMAPK14PTGS2ALDH1A1
SCHEMBL8631671 0.90 CHRNA7 (0.50) GAAPTGS2
SCHEMBL9877233 0.87 MEN1 (0.56) GAAPOLBKDM4EALDH1A1MEN1
SCHEMBL1647431 0.83 MAPK14 (0.54) MAPK14PTGS2FAAHMAPK13CSNK1D
SCHEMBL8632092 0.81 ALDH1A1 (0.55) PTGS2KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL10358778 0.81 PTGIR (0.51) MAPK14PTGS2KDM4EALDH1A1ALOX15
SCHEMBL8631432 0.80 PTGS2 (0.54) GAAPTGS2ALDH1A1MEN1KMT2A
SCHEMBL8633844 0.80 CA9 (0.56) PTGS2KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL8631075 0.79 CA9 (0.55) GAAPTGS2MEN1KMT2ASMN1; SMN2
SCHEMBL8628018 0.79 PTGS2 (0.54) PTGS2ALDH1A1NPSR1MAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988725-A Cardiovascular disorders, antiarrhythmia agents STERLING DRUG INC. (US) 1991-01-29 US disclosed
EP-0388690-A1 Azole-1-alkanamides as antiarrhytmic agents and preparation thereof STERLING DRUG INC. (US) 1990-09-26 EP disclosed
EP-0388654-A2 Azole-1-alkanamides as antiarrhythmic agents and preparation thereof STERLING DRUG INC. (US) 1990-09-26 EP disclosed
US-4916150-A 1H-pyrazole-1-alkanamines antiarrhythmic compositions and use STERLING DRUG INC. (US) 1990-04-10 US disclosed
US-4898880-A N-(heterocycle)alkyl)-1H-pyrazole-1-alkanamides as antiarrhythmic agents, compositions and use STERLING DRUG INC. (US) 1990-02-06 US disclosed
US-4870095-A 1H-pyrazole-1-alkanamides, antiarrhythmic compositions and use STERLING DRUG, INC. (US) 1989-09-26 US disclosed
EP-0299407-A1 1H-pyrazole-1-alkanamides and preparation useful as antiarrhythmic agents STERLING DRUG INC. (US) 1989-01-18 EP disclosed