SCHEMBL9778273

SCHEMBL9778273

CC(=O)c1ccc2c(c1)Sc1cc(Br)ccc1O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 3/20 0.40
MAPT P10636 3/20 0.40
AHR P35869 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYBB P04839 1/20 0.40
APP P05067 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
SNCA P37840 1/20 0.40
NOX3 Q9HBY0 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
RECQL P46063 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
SCHEMBL5358787 0.90 MAPT (0.46) NOX1MAPTMEN1KMT2ACYBB
SCHEMBL11820541 0.83 RECQL (0.39) NOX1AHRMEN1KMT2AALOX15
SCHEMBL9778322 0.83 NOX1 (0.51) NOX1MAPTMEN1KMT2ACYBB
SCHEMBL14468403 0.83 CYP2A6 (0.49) NOX1MAPTMEN1KMT2ACYBB
SCHEMBL11820507 0.81 AHR (0.37) NOX1AHRMEN1KMT2AALOX15
SCHEMBL14446398 0.79 MAPT (0.38) NOX1MAPTMEN1KMT2ACYBB
SCHEMBL11552722 0.79 MAOA (0.47) NOX1MAPTMEN1KMT2ACYBB
SCHEMBL9778282 0.78 MAPT (0.42) NOX1MAPTMEN1KMT2ACYBB
SCHEMBL47016 0.74 AHR (0.56) MAPTAHRSNCALMNACA12
SCHEMBL17559554 0.74 NPC1 (0.37) NOX1MAPTLMNAMAPK1TDP1

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-5036067-A Enzyme inhibotors MERCK & CO., INC. (US) 1991-07-30 US disclosed