SCHEMBL8544014

SCHEMBL8544014

Cc1ccc(CCOc2ncnc3c(F)cccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 2/20 0.39
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
KCNH2 Q12809 2/20 0.36
KDM4E B2RXH2 4/20 0.36
RAB9A P51151 4/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 3/20 0.36
RPS6KB1 P23443 4/20 0.36
AURKA O14965 3/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
MCL1 Q07820 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL8548684 0.88 RAB9A (0.42) LMNAPOLBKDM4ERAB9AALDH1A1
SCHEMBL8542280 0.87 AURKA (0.47) ELOVL1POLBKDM4ERAB9AALDH1A1
SCHEMBL8548181 0.87 TRPA1 (0.43) ELOVL1LMNAPOLBRAB9ANPC1
SCHEMBL8543586 0.86 RAB9A (0.51) ELOVL1LMNAPOLBKDM4ERAB9A
SCHEMBL8541261 0.86 ELOVL1 (0.36) ELOVL1LMNAPOLBKDM4ERAB9A
SCHEMBL8545027 0.86 ELOVL1 (0.36) ELOVL1LMNAPOLBKDM4ERAB9A
SCHEMBL8548285 0.86 GABRA1 (0.39) ELOVL1LMNAPOLBKDM4ERAB9A
SCHEMBL8541119 0.85 SMN1; SMN2 (0.44) LMNAPOLBKDM4ERAB9AALDH1A1
SCHEMBL8547249 0.84 AURKA (0.45) LMNAPOLBRAB9ANPC1RPS6KB1
SCHEMBL9382429 0.83 SMN1; SMN2 (0.43) LMNAPOLBKDM4ERAB9AALDH1A1

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
EP-0326329-B1 Quinazoline derivatives useful as insecticides. DOW AGROSCIENCES LLC (US) 1998-10-28 EP disclosed
US-5411963-A Plant fungicides, miticides, insecticides DOWELANCO (US) 1995-05-02 US disclosed
EP-0326329-A2 Quinazoline derivatives DowElanco (US) 1989-08-02 EP disclosed