SCHEMBL17787233

SCHEMBL17787233

Cc1cc(ON)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.59
LMNA P02545 2/20 0.59
BACE1 P56817 1/20 0.59
CYP1A2 P05177 1/20 0.58
NPFFR1 Q9GZQ6 1/20 0.50
NPFFR2 Q9Y5X5 1/20 0.50
HTT P42858 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
KDM4E B2RXH2 6/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 2/20 0.46
NCF1 P14598 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ACHE P22303 1/20 0.45
KMT2A Q03164 2/20 0.44

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
SCHEMBL29475389 0.85 L3MBTL1 (0.73) L3MBTL1LMNABACE1CYP1A2NPFFR1
SCHEMBL56875 0.85 L3MBTL1 (0.73) L3MBTL1LMNABACE1CYP1A2NPFFR1
SCHEMBL423891 0.83 L3MBTL1 (0.71) L3MBTL1LMNABACE1CYP1A2NPFFR1
SCHEMBL5391424 0.81 L3MBTL1 (0.59) L3MBTL1LMNABACE1CYP1A2NPFFR1
SCHEMBL8066981 0.80 LMNA (0.82) L3MBTL1LMNABACE1CYP1A2HTT
SCHEMBL15483502 0.79 L3MBTL1 (0.56) L3MBTL1LMNABACE1CYP1A2NPFFR1
SCHEMBL8273082 0.79 L3MBTL1 (0.56) L3MBTL1LMNABACE1CYP1A2HTT
SCHEMBL11352364 0.77 L3MBTL1 (0.55) L3MBTL1LMNABACE1CYP1A2NPFFR1
SCHEMBL3094768 0.75 BACE1 (1.00) L3MBTL1LMNABACE1CYP1A2NPFFR1
SCHEMBL27661669 0.75 CYP1A2 (0.64) L3MBTL1LMNABACE1CYP1A2NPFFR1

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-9353390-B2 Genetically engineered microbes and methods for producing 4-hydroxycoumarin UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2016-05-31 US disclosed