SCHEMBL9846169

SCHEMBL9846169

Cc1[c]cc(CCc2nc3ccccc3o2)c(=O)n1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
LOXL2 Q9Y4K0 1/20 0.43
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
GFER P55789 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
AKR1B1 P15121 1/20 0.38
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PDE10A Q9Y233 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL9681398 0.69 MAPT (0.51) MAPTNPC1RAB9ALOXL2TP53
SCHEMBL9846167 0.69 MAPT (0.48) MAPTNPC1RAB9ALOXL2TP53
SCHEMBL155002 0.68 MAPT (1.00) MAPTNPC1RAB9ALOXL2TP53
SCHEMBL27748534 0.66 MAPT (0.66) MAPTNPC1RAB9ALOXL2TP53
SCHEMBL16067087 0.65 MAPT (0.65) MAPTNPC1RAB9ALOXL2TP53
SCHEMBL3125661 0.65 RAB9A (0.59) MAPTNPC1RAB9ALOXL2TP53
SCHEMBL27984491 0.65 RAB9A (0.70) MAPTNPC1RAB9ALOXL2TP53
SCHEMBL4775028 0.64 NPC1 (0.68) MAPTNPC1RAB9ALOXL2TP53
SCHEMBL5573693 0.64 MAPT (0.54) MAPTNPC1RAB9ALOXL2TP53
SCHEMBL2123398 0.63 MAPT (0.78) MAPTNPC1RAB9ALOXL2TP53

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