SCHEMBL9877381

SCHEMBL9877381

CCOC(=O)C(C)n1cc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.57
MAPT P10636 2/20 0.57
TSHR P16473 6/20 0.46
JMJD6 Q6NYC1 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
PTGIR P43119 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL9877194 0.80 ALDH1A1 (0.44) L3MBTL1MAPTTSHRKMT2AMEN1
SCHEMBL11620527 0.78 CCNC (0.47) L3MBTL1MAPTKMT2AMEN1PTGIR
SCHEMBL9877233 0.76 MEN1 (0.56) MAPTTSHRJMJD6KMT2AMEN1
SCHEMBL9799766 0.74 MAPT (0.68) L3MBTL1MAPTTSHRKMT2AMEN1
SCHEMBL2927479 0.73 MAPK1 (0.59) L3MBTL1MAPTTSHRKMT2AMEN1
SCHEMBL9877332 0.73 MAPT (0.54) L3MBTL1MAPTTSHRKMT2AMEN1
SCHEMBL9876896 0.73 MEN1 (0.47) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL11621957 0.71 KMT2A (0.52) L3MBTL1MAPTTSHRKMT2AMEN1
SCHEMBL27685211 0.70 KMT2A (0.38) L3MBTL1MAPTTSHRKMT2AMEN1
SCHEMBL11624535 0.69 LMNA (0.47) L3MBTL1MAPTKMT2AMEN1ALDH1A1

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
US-4988725-A Cardiovascular disorders, antiarrhythmia agents STERLING DRUG INC. (US) 1991-01-29 US 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