SCHEMBL7310017

SCHEMBL7310017

[O]CCCc1nc2ccccc2o1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.72
NPC1 O15118 3/20 0.72
RAB9A P51151 3/20 0.72
LOXL2 Q9Y4K0 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 2/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.55
GFER P55789 1/20 0.55
DRD3 P35462 8/20 0.52
DRD2 P14416 6/20 0.52
DRD4 P21917 4/20 0.52
DRD1 P21728 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTR1A P08908 2/20 0.43
HTR2A P28223 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HTR7 P34969 1/20 0.42
HRH1 P35367 1/20 0.42

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
SCHEMBL2123398 0.89 MAPT (0.78) MAPTNPC1RAB9ALOXL2SMN1; SMN2
SCHEMBL9642061 0.89 MAPT (0.84) MAPTNPC1RAB9ALOXL2SMN1; SMN2
SCHEMBL11399187 0.89 MAPT (0.84) MAPTNPC1RAB9ALOXL2SMN1; SMN2
SCHEMBL22871601 0.86 MAPT (0.72) MAPTNPC1RAB9ALOXL2SMN1; SMN2
SCHEMBL155002 0.85 MAPT (1.00) MAPTNPC1RAB9ALOXL2SMN1; SMN2
SCHEMBL3030438 0.83 NPC1 (0.68) MAPTNPC1RAB9ALOXL2SMN1; SMN2
SCHEMBL2986628 0.82 NPC1 (0.72) MAPTNPC1RAB9ALOXL2SMN1; SMN2
SCHEMBL5543729 0.82 MAPT (0.72) MAPTNPC1RAB9ALOXL2SMN1; SMN2
SCHEMBL4280291 0.82 MAPT (0.72) MAPTNPC1RAB9ALOXL2SMN1; SMN2
SCHEMBL591905 0.82 RAB9A (0.72) MAPTNPC1RAB9ALOXL2SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-H1893-H REACTING A HALOKETONE COMPOUND OR SALT WITH AN OXIDOREDUCTASE ENZYME SUPPLYING MICROORGANISM OR OXIDOREDUCTASE ENZYME CONTAINING MATERIAL OBTAINED FROM THE MICROORGANISM, CATALYZES THE REDUCTION OF HALOKETONE TO FORM HALOHYDROXIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-10-03 US disclosed
US-5776933-A Method of inhibiting protease E. R. SQUIBB & SONS, INC. (US) 1998-07-07 US disclosed
US-5760036-A ENZYME INHIBITORS OF RETROVIRAL PROTEASE FOR PREVENTION OF AIDS E. R. SQUIBB & SONS, INC. (US) 1998-06-02 US disclosed
US-5559256-A Aminediol protease inhibitors E. R. SQUIBB & SONS, INC. (US) 1996-09-24 US disclosed
EP-0580402-A2 Aminediol protease inhibitors E.R. SQUIBB & SONS, INC. (US) 1994-01-26 EP disclosed