SCHEMBL8901007

SCHEMBL8901007

O=C(CC(=O)c1ccccc1)Nc1ccccc1S(=O)(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
POLB P06746 1/20 0.56
NPC1 O15118 4/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CA1 P00915 8/20 0.49
CA2 P00918 8/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
CES1 P23141 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL10538897 0.83 RAB9A (0.77) RAB9AKMT2AMEN1POLBNPC1
SCHEMBL3581670 0.81 CA1 (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2CA1
SCHEMBL2893166 0.80 MDM4 (0.56) RAB9AKMT2AMEN1POLBNPC1
SCHEMBL31520127 0.80 MDM4 (0.56) RAB9AKMT2AMEN1POLBNPC1
SCHEMBL28232248 0.80 CA1 (0.54) SMN1; SMN2CA1CA2
SCHEMBL6362947 0.79 CA1 (0.53) SMN1; SMN2CA1CA2MAPK1TDP1
SCHEMBL9799462 0.79 CA1 (0.76) CA1CA2
SCHEMBL10067565 0.79 CA1 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2CA1
SCHEMBL10893116 0.76 CA2 (0.54) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL8772345 0.76 KMT2A (0.70) RAB9AKMT2AMEN1POLBNPC1

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
EP-0797774-A1 MULTILAYER ANALYTICAL ELEMENT 2860601 Canada Inc. (CN) 1997-10-01 EP claimed
WO-1996018898-A1 MULTILAYER ANALYTICAL ELEMENT 2860601 CANADA INC. (CA) 1996-06-20 WO claimed