SCHEMBL9846076

SCHEMBL9846076

CCc1cc(CCc2nc3ccccc3o2)c(OCc2ccccc2)nc1CO

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
TP53 P04637 5/20 0.42
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
KDM4E B2RXH2 1/20 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

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
SCHEMBL9846131 0.92 MAPT (0.44) MAPTNPC1RAB9ATP53LMNA
SCHEMBL9846311 0.90 MAPT (0.44) MAPTNPC1RAB9ATP53LMNA
SCHEMBL9846108 0.83 MAPT (0.41) MAPTNPC1RAB9ATP53LMNA
SCHEMBL9680846 0.72 L3MBTL1 (0.40) MAPTNPC1RAB9ATP53LMNA
SCHEMBL9449331 0.72 MAPT (0.44) MAPTNPC1RAB9ATP53LMNA
SCHEMBL9449230 0.70 MAPT (0.50) MAPTNPC1RAB9ATP53LMNA
SCHEMBL9846186 0.69 MAPT (0.48) MAPTNPC1RAB9ATP53LMNA
SCHEMBL9449238 0.69 ATP4A (0.40) NPC1RAB9A
SCHEMBL9449235 0.69 ATP4A (0.40) NPC1RAB9A

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