SCHEMBL15061398

SCHEMBL15061398

[CH2]CCCCCc1ccc(OCn2nnc3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 3/20 0.56
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 1/20 0.47
SLC9A1 P19634 6/20 0.44
TDP1 Q9NUW8 1/20 0.43
GRM2 Q14416 2/20 0.43
PTK2 Q05397 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3463660 0.78 SLC9A1 (0.57) RAB9ANPC1MAPTSLC9A1TDP1
SCHEMBL1744970 0.78 EGLN3 (0.58) PLA2G4ARAB9ANPC1MAPT
SCHEMBL17125454 0.76 RAB9A (0.55) RAB9ANPC1MAPTSLC9A1GRM2
SCHEMBL7377696 0.76 MAPT (0.46) PLA2G4ARAB9ANPC1MAPTSLC9A1
SCHEMBL6743169 0.73 TSHR (0.51) RAB9ANPC1MAPTSLC9A1TDP1
SCHEMBL730645 0.71 SLC9A1 (0.70) RAB9ANPC1MAPTSLC9A1TDP1
SCHEMBL28967756 0.70 SLC9A1 (0.65) PLA2G4ARAB9ANPC1MAPTSLC9A1
SCHEMBL30179307 0.70 SLC9A1 (0.65) PLA2G4ARAB9ANPC1MAPTSLC9A1
SCHEMBL3026641 0.70 FFAR1 (0.62) RAB9ANPC1TDP1
SCHEMBL3651402 0.69 MAPT (0.61) PLA2G4ARAB9ANPC1MAPTSLC9A1

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-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US claimed