SCHEMBL8328108

SCHEMBL8328108

Oc1c2nc(Cl)c3ccccc3c2nn1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BRAF P15056 1/20 0.38
ADORA3 P0DMS8 4/20 0.36
ESR2 Q92731 1/20 0.36
SYK P43405 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
HIF1A Q16665 1/20 0.34
MPI P34949 1/20 0.34
PHOSPHO1 Q8TCT1 1/20 0.34
ADORA2A P29274 1/20 0.34
KEAP1 Q14145 1/20 0.33

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
SCHEMBL8324694 0.80 MAPT (0.40) MAPTRAB9ACTDSP1L3MBTL1KDM4E
SCHEMBL8466131 0.76 MAPT (0.42) MAPTRAB9ACTDSP1L3MBTL1KDM4E
SCHEMBL8321791 0.72 L3MBTL1 (0.39) MAPTRAB9ACTDSP1L3MBTL1KDM4E
SCHEMBL8462289 0.72 MAPT (0.47) MAPTRAB9ACTDSP1L3MBTL1KDM4E
SCHEMBL8522571 0.72 ADORA3 (0.47) MAPTRAB9ACTDSP1L3MBTL1KDM4E
SCHEMBL8320581 0.72 NPSR1 (0.48) MAPTRAB9ACTDSP1L3MBTL1KDM4E
SCHEMBL8523787 0.72 NPC1 (0.52) RAB9AL3MBTL1ADORA3ESR2SYK
Water SCHEMBL8326580 0.71 MAPT (0.38) MAPTRAB9ACTDSP1L3MBTL1KDM4E
SCHEMBL8466029 0.70 SCN9A (0.32) MAPTRAB9ACTDSP1L3MBTL1KDM4E
Water SCHEMBL8142710 0.70 MAPT (0.37) MAPTRAB9ACTDSP1L3MBTL1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888347-A1 PHARMACEUTICALLY USEFUL COMPOUNDS Astra Pharmaceuticals Limited (GB) 1999-01-07 EP claimed
WO-1997034893-A1 PHARMACEUTICALLY USEFUL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-09-25 WO claimed
EP-0888347-A1 PHARMACEUTICALLY USEFUL COMPOUNDS Astra Pharmaceuticals Limited (GB) 1999-01-07 EP disclosed
WO-1997034893-A1 PHARMACEUTICALLY USEFUL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-09-25 WO disclosed