SCHEMBL9846131

SCHEMBL9846131

CCc1cc(CCc2nc3ccccc3o2)c(OCc2ccccc2)nc1COC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
TP53 P04637 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL9846112 0.92 TP53 (0.44) MAPTNPC1RAB9ATP53LMNA
SCHEMBL9846076 0.92 MAPT (0.44) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL9846311 0.90 MAPT (0.44) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL9846108 0.83 MAPT (0.41) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL9846186 0.73 MAPT (0.48) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL9449331 0.72 MAPT (0.44) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL9449238 0.71 ATP4A (0.40) NPC1RAB9AL3MBTL1
SCHEMBL9449235 0.71 ATP4A (0.40) NPC1RAB9AL3MBTL1
2-Phenethylbenzo[D]Oxazole SCHEMBL10582102 0.68 MAPT (0.81) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL14584995 0.68 NPC1 (0.63) MAPTNPC1RAB9ATP53SMN1; 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