SCHEMBL9846186

SCHEMBL9846186

CCc1cc(CCc2nc3ccccc3o2)c(=O)[nH]c1COC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
APLNR P35414 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.41
TP53 P04637 3/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
HCAR2 Q8TDS4 1/20 0.38
ELANE P08246 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36

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
SCHEMBL9449331 0.88 MAPT (0.44) MAPTNPC1RAB9AAPLNRSMN1; SMN2
SCHEMBL9449230 0.87 MAPT (0.50) MAPTNPC1RAB9AAPLNRSMN1; SMN2
SCHEMBL9846095 0.87 MAPT (0.50) MAPTNPC1RAB9AAPLNRSMN1; SMN2
SCHEMBL5573693 0.83 MAPT (0.54) MAPTNPC1RAB9AAPLNRSMN1; SMN2
SCHEMBL9431768 0.74 MAPT (0.54) MAPTNPC1RAB9AAPLNRSMN1; SMN2
SCHEMBL9846349 0.73 MAPT (0.50) MAPTNPC1RAB9AAPLNRSMN1; SMN2
SCHEMBL9846131 0.73 MAPT (0.44) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9846394 0.72 MAPT (0.49) MAPTNPC1RAB9AAPLNRSMN1; SMN2
SCHEMBL9846167 0.72 MAPT (0.48) MAPTNPC1RAB9AAPLNRSMN1; SMN2
SCHEMBL9846193 0.72 MAPT (0.48) MAPTNPC1RAB9AAPLNRSMN1; SMN2

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
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed