SCHEMBL9877233

SCHEMBL9877233

CCOC(=O)Cn1cc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.55
PTGIR P43119 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.51
JMJD6 Q6NYC1 1/20 0.48
SRC P12931 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.44

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
SCHEMBL8631432 0.90 PTGS2 (0.54) MEN1KMT2AGAAPTGIRSMN1; SMN2
SCHEMBL8631075 0.89 CA9 (0.55) MEN1KMT2AGAAPTGIRSMN1; SMN2
SCHEMBL9877113 0.87 GAA (0.52) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL9877477 0.81 PTGIR (0.67) MEN1KMT2AGAAPTGIRTSHR
SCHEMBL8632092 0.81 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8633844 0.80 CA9 (0.56) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL13307806 0.80 MEN1 (0.68) MEN1KMT2AGAASMN1; SMN2TSHR
SCHEMBL8628018 0.79 PTGS2 (0.54) TSHRALDH1A1
SCHEMBL8629926 0.79 PTGS2 (0.61) GAAALDH1A1
SCHEMBL8631671 0.78 CHRNA7 (0.50) GAA

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 8 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-0299407-B1 1H-PYRAZOLE-1-ALKANAMIDES AND PREPARATION USEFUL AS ANTIARRHYTHMIC AGENTS STERLING DRUG INC. (US) 1990-10-24 EP 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