SCHEMBL10561997

SCHEMBL10561997

CCc1cccc2c1Sc1c(CC)cccc1N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.46
GABRB2 P47870 4/20 0.46
PDK2 Q15119 2/20 0.38
GAA P10253 5/20 0.37
MAPT P10636 4/20 0.37
NOX1 Q9Y5S8 4/20 0.37
MEN1 O00255 3/20 0.37
ALOX15 P16050 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP3A4 P08684 2/20 0.37
SNCA P37840 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP1A2 P05177 1/20 0.37
BCHE P06276 1/20 0.37
POLB P06746 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ALOX12 P18054 1/20 0.37
MAOA P21397 1/20 0.37
CNR1 P21554 1/20 0.37
ACHE P22303 1/20 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
SCHEMBL10559267 0.87 NOX1 (0.53) GABRA1GABRB2GAAMAPTNOX1
SCHEMBL10561619 0.80 LIPG (0.46) MAPTMEN1ALOX15KMT2ACYP3A4
SCHEMBL25765754 0.71
SCHEMBL8723840 0.71 GAA (0.41) GAAMAPTNOX1MEN1ALOX15
SCHEMBL10537721 0.71
SCHEMBL10557429 0.71 GABRA1 (0.41) GABRA1GABRB2PDK2MAPTMEN1
SCHEMBL2582870 0.68 NOX1 (0.53) PDK2GAAMAPTNOX1MEN1
SCHEMBL12142036 0.68 GABRA1 (0.48) GABRA1GABRB2GAAMAPTNOX1
SCHEMBL2313040 0.67 NOX1 (0.52) GAAMAPTNOX1MEN1ALOX15
SCHEMBL2590797 0.67 PDK2 (0.46) GABRA1GABRB2PDK2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4803269-A ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1989-02-07 US disclosed
US-4707473-A ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1987-11-17 US disclosed