SCHEMBL8638648

SCHEMBL8638648

OCCCC1=CN=Cc2ccccc2N1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.30
POLB P06746 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL28831505 0.90 GAA (0.39) MAPTGAA
SCHEMBL4250724 0.83 GAA (0.36) MAPTGAA
Hydrochloric Acid SCHEMBL8805169 0.82 GAA (0.36) MAPTGAA
SCHEMBL9527218 0.77 GAA (0.38) MAPTGAA
SCHEMBL11389449 0.77 GAA (0.38) MAPTGAA
SCHEMBL9789197 0.77 GAA (0.38) MAPTGAA
SCHEMBL11882072 0.73 GAA (0.34) MAPTGAA
SCHEMBL28905184 0.73 GAA (0.32) MAPTGAA
SCHEMBL29133228 0.72 KDM4E (0.38) MAPTKDM4EPOLBALDH1A1
SCHEMBL11802682 0.71 EPHX2 (0.35) MAPTGAAKDM4EALDH1A1

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
EP-0730456-A4 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO INC (US) 1998-02-04 EP disclosed
EP-0730456-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO. INC. (US) 1996-09-11 EP disclosed
WO-1995014472-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO., INC. (US) 1995-06-01 WO disclosed