SCHEMBL9547196

SCHEMBL9547196

O=C(NNc1ccc(S)cc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
GAA P10253 8/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
ALOX12 P18054 2/20 0.37
PTGS2 P35354 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 2/20 0.34
ALOX5 P09917 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL15710366 0.81 GAA (0.53) CA1CA2GAAMAPTSMN1; SMN2
SCHEMBL8930990 0.81 TRPV1 (0.47) CA1CA2GAAMAPTSMN1; SMN2
SCHEMBL8476433 0.81 MAPT (0.45) CA1CA2GAAMAPTSMN1; SMN2
SCHEMBL6521536 0.80 CA12 (0.58) CA1CA2GAAMAPTSMN1; SMN2
SCHEMBL2231647 0.80 GAA (0.58) GAASMN1; SMN2ALDH1A1CYP2C19ALOX12
SCHEMBL8020298 0.77 PTGS2 (0.55) GAAMAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL11685105 0.75 ALDH1A1 (0.58) GAAMAPTSMN1; SMN2ALDH1A1POLB
Hydrogen Sulfide SCHEMBL8030072 0.75 PTGS2 (0.54) GAAMAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL11685289 0.73 GAA (0.54) GAAMAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL2199062 0.68 MAPT (0.56) GAAMAPTSMN1; SMN2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5182367-A 5-lipoxygenase activating protein MERCK & CO., INC. (US) 1993-01-26 US disclosed