SCHEMBL8633384

SCHEMBL8633384

COC(=O)c1cccc(Oc2ccnc(Cl)c2)n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.56
GRM5 P41594 1/20 0.46
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 2/20 0.44
GAA P10253 1/20 0.44
RECQL P46063 1/20 0.44
P2RX3 P56373 6/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8629482 0.85 PTGER1 (0.49) MAPTL3MBTL1GRM5P2RX3MRGPRX4
SCHEMBL8780576 0.83 MAPT (0.67) MAPTL3MBTL1GRM5CYP1A2GAA
SCHEMBL7613351 0.81 MAPT (0.61) MAPTL3MBTL1GRM5ALDH1A1CYP1A2
SCHEMBL8721109 0.80 F2 (0.44) L3MBTL1GRM5CYP1A2GAARECQL
SCHEMBL8780569 0.80 MAPT (0.70) MAPTL3MBTL1ALDH1A1CYP1A2GAA
SCHEMBL9017227 0.79 MAPT (0.52) MAPTGRM5GAA
SCHEMBL7608437 0.78 MAPT (0.67) MAPTL3MBTL1ALDH1A1CYP1A2GAA
SCHEMBL192020 0.77 L3MBTL1 (0.64) L3MBTL1GRM5TP53SMN1; SMN2
SCHEMBL2663097 0.76 RAF1 (0.46) MAPTL3MBTL1GRM5ALDH1A1
SCHEMBL9017144 0.75 GRM5 (0.38) MAPTL3MBTL1GRM5NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5807804-A CONTROLLING WEEDS AMERICAN CYANAMID COMPANY (US) 1998-09-15 US disclosed
US-5710106-A Substituted pyridine herbicidal agents AMERICAN CYANAMID COMPANY (US) 1998-01-20 US disclosed
EP-0792872-A2 2,6-substituted pyridine derivatives, their preparation and their use as herbicidal agents American Cyanamid Company (US) 1997-09-03 EP disclosed