SCHEMBL9681398

SCHEMBL9681398

CCc1cc(CCc2nc3ccccc3o2)c(=O)n(C)c1O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
LOXL2 Q9Y4K0 1/20 0.44
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
GFER P55789 1/20 0.42
PDE10A Q9Y233 1/20 0.41
PIK3CB P42338 1/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
CNR2 P34972 1/20 0.39
AKR1B1 P15121 1/20 0.38

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 0.74 MAPT (0.54) MAPTRAB9ANPC1LOXL2TP53
SCHEMBL9449230 0.74 MAPT (0.50) MAPTRAB9ANPC1LOXL2TP53
SCHEMBL155002 0.71 MAPT (1.00) MAPTRAB9ANPC1LOXL2TP53
SCHEMBL9431768 0.71 MAPT (0.54) MAPTRAB9ANPC1LOXL2TP53
SCHEMBL9846095 0.71 MAPT (0.50) MAPTRAB9ANPC1LOXL2TP53
SCHEMBL9846186 0.70 MAPT (0.48) MAPTRAB9ANPC1LOXL2TP53
SCHEMBL7346222 0.69 MAPT (0.50) MAPTRAB9ANPC1LOXL2TP53
SCHEMBL9846169 0.69 MAPT (0.47) MAPTRAB9ANPC1LOXL2TP53
SCHEMBL31276277 0.69 MAPT (0.78) MAPTRAB9ANPC1LOXL2TP53
SCHEMBL1748040 0.69 MAPT (0.78) MAPTRAB9ANPC1LOXL2TP53

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-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 EP disclosed