SCHEMBL11525907

SCHEMBL11525907

COc1ccc(NCCNc2ccccc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.83
GAA P10253 3/20 0.83
ALDH1A1 P00352 3/20 0.59
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
PPARG P37231 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
HIF1A Q16665 1/20 0.55
CTSK P43235 3/20 0.55
APP P05067 1/20 0.53
KCNH3 Q9ULD8 1/20 0.53
CA4 P22748 1/20 0.52
KDM4E B2RXH2 1/20 0.52
THRB P10828 1/20 0.52
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL1030950 0.91 GAA (1.00) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL3911045 0.85 MAPT (0.73) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL6226359 0.85 MAPT (0.73) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL18618574 0.84 MAPT (0.65) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL11526032 0.83 MAPT (0.83) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL3021455 0.83 GAA (0.83) MAPTGAAALDH1A1NPC1RAB9A
Anisole SCHEMBL8779841 0.82 GAA (0.57) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL8827999 0.82 ALDH1A1 (0.63) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL10411052 0.82 PPARG (0.73) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL11696192 0.82 GAA (0.80) MAPTGAAALDH1A1NPC1RAB9A

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
US-4161528-A INSECTICIDES; MITICIDES CELAMERCK GMBH & CO. KG. (DE) 1979-07-17 US disclosed