SCHEMBL9846167

SCHEMBL9846167

Cc1[nH]c(=O)c(CCc2nc3ccccc3o2)cc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
LOXL2 Q9Y4K0 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 3/20 0.43
HTT P42858 2/20 0.43
GFER P55789 1/20 0.43
BRD4 O60885 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ACHE P22303 1/20 0.38
APLNR P35414 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL5573693 0.83 MAPT (0.54) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL9268706 0.80 RAB9A (0.48) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL9846349 0.80 MAPT (0.50) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL9846394 0.79 MAPT (0.49) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL9846193 0.78 MAPT (0.48) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL9846184 0.78 MAPT (0.48) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL9846095 0.76 MAPT (0.50) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL9449230 0.76 MAPT (0.50) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL9846228 0.73 MAPT (0.52) MAPTRAB9ANPC1LOXL2SMN1; SMN2
SCHEMBL9846186 0.72 MAPT (0.48) MAPTRAB9ANPC1LOXL2SMN1; 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