SCHEMBL3412879

SCHEMBL3412879

COc1cc(Nc2cc(CO)cc(Cl)n2)ccc1-c1nc(C)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
ABCG2 Q9UNQ0 3/20 0.36
ABCB1 P08183 2/20 0.36
ABCC1 P33527 2/20 0.36
POLB P06746 3/20 0.35
BRAF P15056 1/20 0.35
TP53 P04637 1/20 0.35
AGPAT2 O15120 8/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EGFR P00533 1/20 0.34
DOT1L Q8TEK3 1/20 0.34
BRD4 O60885 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
SCHEMBL3410817 0.84 GALR2 (0.39) ABCG2ABCB1ABCC1
SCHEMBL3412641 0.83 MAPT (0.42) MAPTABCG2ABCB1ABCC1POLB
SCHEMBL3412595 0.82 MAPT (0.41) MAPTABCG2ABCB1ABCC1POLB
SCHEMBL3407207 0.82 PSEN1 (0.43) MAPTABCG2ABCB1ABCC1POLB
SCHEMBL3412202 0.82 MAPT (0.42) MAPTABCG2ABCB1ABCC1POLB
SCHEMBL3407955 0.80 NPC1 (0.51) MAPTABCG2NPC1RAB9AGAA
SCHEMBL3411256 0.79 ABCB1 (0.40) MAPTABCG2ABCB1ABCC1POLB
SCHEMBL3410260 0.76 NPC1 (0.53) MAPTABCG2NPC1RAB9AGAA
SCHEMBL3410452 0.75 BRAF (0.44) MAPTABCG2ABCB1ABCC1POLB
SCHEMBL3410953 0.75 ABCB1 (0.44) MAPTABCG2ABCB1ABCC1POLB

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-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed