SCHEMBL1289868

SCHEMBL1289868

CCOC(=O)c1cc2ccncc2n(-c2ccc(F)cc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
CHRNA7 P36544 2/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
AOC3 Q16853 2/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK14 Q16539 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL18044696 0.89 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1289794 0.83 NOTUM (0.44) POLBKDM4EALDH1A1AOC3LMNA
SCHEMBL15878893 0.78 KDM4E (0.45) TSHRCHRNA7POLBKDM4EALDH1A1
SCHEMBL23146843 0.76 POLB (0.52) TSHRCHRNA7POLBKDM4EALDH1A1
SCHEMBL28341774 0.75 MAPK1 (0.53) CHRNA7POLBKDM4EALDH1A1HPGD
SCHEMBL680979 0.74 HPGD (0.56) CHRNA7POLBKDM4EALDH1A1HPGD
SCHEMBL21776526 0.74 CHRNA7 (0.49) CHRNA7POLBKDM4EALDH1A1HPGD
SCHEMBL23147401 0.74 CHRNA7 (0.49) TSHRCHRNA7POLBKDM4EALDH1A1
SCHEMBL23147694 0.72 GAA (0.46) TSHRCHRNA7POLBKDM4EALDH1A1
SCHEMBL23617167 0.72 KDM4E (0.47) CHRNA7POLBKDM4EALDH1A1HPGD

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
WO-2012045721-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2012-04-12 WO disclosed