SCHEMBL9587487

SCHEMBL9587487

Cc1ccc(Cc2ccc(S(=O)(=O)c3ccc4ccccc4c3)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
GAA P10253 3/20 0.50
HTT P42858 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
PKM P14618 1/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KAT6A Q92794 1/20 0.47
LOX P28300 2/20 0.47
LOXL2 Q9Y4K0 2/20 0.47
MAOA P21397 1/20 0.47
ALDH1A1 P00352 3/20 0.45
ALOX12 P18054 1/20 0.45
COMT P21964 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
CYP2A6 P11509 1/20 0.44
KDM4E B2RXH2 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP19A1 P11511 1/20 0.43

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
SCHEMBL9587829 0.90 GAA (0.61) L3MBTL1GAAHTTSMN1; SMN2LMNA
Sulfuric Acid SCHEMBL28492450 0.85 GAA (0.55) L3MBTL1GAAHTTSMN1; SMN2LMNA
SCHEMBL13407568 0.85 HTT (0.62) L3MBTL1GAAHTTSMN1; SMN2ALDH1A1
SCHEMBL9587481 0.85 L3MBTL1 (0.47) L3MBTL1GAASMN1; SMN2LMNAPKM
SCHEMBL13407569 0.84 HTT (0.66) L3MBTL1GAAHTTSMN1; SMN2ALDH1A1
SCHEMBL12750117 0.83 GAA (0.73) GAAHTTSMN1; SMN2PKMALDH1A1
SCHEMBL9413719 0.83 GAA (0.73) L3MBTL1GAAHTTSMN1; SMN2PKM
SCHEMBL12129680 0.83 GAA (0.73) GAAHTTSMN1; SMN2PKMALDH1A1
SCHEMBL9589105 0.81 L3MBTL1 (0.54) L3MBTL1LMNANPSR1LOXLOXL2
SCHEMBL9413717 0.81 GAA (0.70) L3MBTL1GAAHTTSMN1; SMN2LMNA

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
WO-1993013079-A1 ANTIFOLATE QUINAZOLINES AGOURON PHARMACEUTICALS, INC. (US) 1993-07-08 WO disclosed