SCHEMBL8548720

SCHEMBL8548720

Brc1ccc2ncnc(NCCc3ccc(Oc4ccccc4)cc3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 8/20 0.69
LMNA P02545 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MAPK1 P28482 2/20 0.57
EGFR P00533 2/20 0.57
APP P05067 2/20 0.57
CCNC P24863 4/20 0.57
CDK8 P49336 4/20 0.57
CDKN1A P38936 1/20 0.57
CDK19 Q9BWU1 1/20 0.57
MAPT P10636 1/20 0.56
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
PIK3CD O00329 2/20 0.52
PIK3R1 P27986 2/20 0.52
NR2F2 P24468 1/20 0.52
RXFP1 Q9HBX9 1/20 0.50
FYN P06241 1/20 0.50
SRC P12931 1/20 0.50

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
SCHEMBL13283269 0.89 HTT (0.76) HTTLMNASMN1; SMN2MAPK1EGFR
SCHEMBL157421 0.87 NFKB1 (0.63) HTTLMNAMAPK1EGFRAPP
SCHEMBL29350229 0.87 NFKB1 (0.63) HTTLMNAMAPK1EGFRAPP
SCHEMBL8543007 0.87 HTT (0.77) HTTLMNASMN1; SMN2MAPK1EGFR
SCHEMBL8542891 0.84 HTT (0.54) HTTLMNAMAPK1EGFRAPP
SCHEMBL28530926 0.83 CCNC (0.57) HTTLMNAMAPK1EGFRAPP
SCHEMBL8545770 0.82 HTT (0.82) HTTLMNASMN1; SMN2MAPK1EGFR
SCHEMBL8547638 0.79 MAPK1 (0.55) HTTLMNASMN1; SMN2MAPK1EGFR
SCHEMBL8548572 0.79 EGFR (0.71) HTTLMNASMN1; SMN2MAPK1EGFR
SCHEMBL8542554 0.79 HTT (0.72) HTTLMNASMN1; SMN2MAPK1EGFR

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
EP-0326329-B1 Quinazoline derivatives useful as insecticides. DOW AGROSCIENCES LLC (US) 1998-10-28 EP disclosed