SCHEMBL7636770

SCHEMBL7636770

BrCCOc1ccc(Cn2cccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
GAA P10253 2/20 0.54
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 2/20 0.40
CYP2C9 P11712 2/20 0.39

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
SCHEMBL7627612 0.93 MAPT (0.52) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL27377737 0.85 MAPT (0.54) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL7629829 0.85 MAPT (0.54) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL7627624 0.85 GAA (0.54) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL7626009 0.85 MAPT (0.54) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL7635750 0.84 GAA (0.52) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL8382687 0.84 MAPT (0.52) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL8383503 0.80 MAPT (0.49) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL16297159 0.79 MAPT (0.55) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL7635744 0.79 HDAC1 (0.51) MAPTGAAHDAC1HDAC6NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754683-B1 ETHER COMPOUND, USE THEREOF, AND INTERMEDIATE FOR PRODUCING THE COMPOUND SUMITOMO CHEMICAL CO (JP) 2002-08-14 EP disclosed
CN-1079794-C Ether compound, use thereof, and intermediate for producing the compound SUMITOMO CHEM IND (JP) 2002-02-27 CN disclosed
US-5972949-A COMPOUNDS SUCH AS 4-(1-PYRAZOLYL)METHYLPHENYL 2-(2-PYRIMIDYLOXY) ETHYL ETHER; INSECTICIDAL AND/OR ACARICIDAL AGENTS SUMITO CHEMICAL CO., LTD. (JP) 1999-10-26 US disclosed
US-5883262-A INSECTICIDES, ACARICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-03-16 US disclosed
US-5684022-A ANTIFERTILITY AGENT PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-11-04 US disclosed
CN-1149289-A Ether compounds, their use and intermediates for their preparation SUMITOMO CHEMICAL CO (JP) 1997-05-07 CN disclosed
EP-0757048-A1 ETHER COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1997-02-05 EP disclosed
EP-0754683-A1 ETHER COMPOUND, USE THEREOF, AND INTERMEDIATE FOR PRODUCING THE COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1997-01-22 EP disclosed