SCHEMBL17103809

SCHEMBL17103809

Cc1ccccc1Cc1cccc2c1Nc1ccccc1S2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 11/20 0.47
GAA P10253 7/20 0.47
MAPT P10636 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALOX15 P16050 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
SNCA P37840 2/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ALOX12 P18054 1/20 0.47
MAOA P21397 1/20 0.47
CNR1 P21554 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2C P28335 1/20 0.47

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
SCHEMBL20537255 0.91 NOX1 (0.44) NOX1GAAMAPTMEN1KMT2A
SCHEMBL10419393 0.91 NOX1 (0.57) NOX1GAAMAPTMEN1KMT2A
SCHEMBL6429971 0.86 NOX1 (0.42) NOX1GAAMAPTMEN1KMT2A
SCHEMBL3698311 0.84 NOX1 (0.50) NOX1GAAMAPTMEN1KMT2A
SCHEMBL194062 0.84 NOX1 (0.61) NOX1GAAMAPTMEN1KMT2A
SCHEMBL31331504 0.84 NOX1 (0.61) NOX1GAAMAPTMEN1KMT2A
SCHEMBL17103811 0.83 NOX1 (0.42) NOX1GAAMAPTMEN1KMT2A
SCHEMBL2582870 0.81 NOX1 (0.53) NOX1GAAMAPTMEN1KMT2A
SCHEMBL6928863 0.80 NOX1 (0.38) NOX1GAAMAPTMEN1KMT2A
SCHEMBL17514083 0.80 NOX1 (0.39) NOX1GAAMAPTMEN1KMT2A

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
EP-2530119-B1 ACRYLIC RUBBER COMPOSITION AND RUBBER CROSSLINKED PRODUCT ZEON CORP (JP) 2015-09-30 EP disclosed