SCHEMBL10682046

SCHEMBL10682046

CCc1[nH]c(=O)c(C)cc1C(=O)c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ GAA P10253 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ NPSR1 Q6W5P4 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ SLC22A12 Q96S37 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ ATM Q13315 1/20 0.41

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
SCHEMBL10677717 0.88 ALDH1A1 (0.44) MAPTGAAHTTRAB9AKMT2A
SCHEMBL10677653 0.86 UCHL1 (0.53) MAPTGAAHTTNPC1NPSR1
SCHEMBL10682462 0.86 MAPT (0.53) MAPTGAAHTTNPC1NPSR1
SCHEMBL10679716 0.85 ALDH1A1 (0.52) MAPTGAAHTTNPC1RAB9A
SCHEMBL10679788 0.85 MAPT (0.49) MAPTGAAHTTNPC1NPSR1
SCHEMBL10678457 0.84 LMNA (0.40) MAPTGAAHTTNPC1RAB9A
SCHEMBL7385630 0.83 MAPT (0.45) MAPTGAAHTTNPC1NPSR1
SCHEMBL10681806 0.81 PDE3B (0.55) MAPTNPSR1KMT2AALDH1A1LMNA
SCHEMBL10683064 0.80 NPC1 (0.50) MAPTGAAHTTNPC1NPSR1
SCHEMBL10680809 0.76 DRD2 (0.36) GAAKMT2ALMNAKDM4EMAPK1

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-4769380-A Cardiotonic 5-benzoyl-1,2-dihydro-2-oxo-3-pyridinecarboxylates MERRELL DOW PHARMACEUTICALS INC. (US) 1988-09-06 — — US disclosed
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