SCHEMBL8547776

SCHEMBL8547776

Fc1cccc2c(NCCc3ccc(-c4ccccc4)cc3)ncnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ APP P05067 2/20 0.54
▸ EGFR P00533 1/20 0.54
▸ AURKA O14965 6/20 0.47
▸ RPS6KB1 P23443 3/20 0.47
▸ SLC29A1 Q99808 1/20 0.47
▸ OPRM1 P35372 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44

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
SCHEMBL8542072 0.87 AURKA (0.53) HTTMAPK1LMNAAPPEGFR
SCHEMBL8543977 0.86 HTT (0.64) HTTMAPK1LMNAAPPEGFR
SCHEMBL8546280 0.86 GALR3 (0.51) HTTMAPK1LMNAAPPEGFR
SCHEMBL8546996 0.83 AURKA (0.48) HTTMAPK1LMNAAPPEGFR
SCHEMBL8542136 0.83 AURKA (0.48) HTTMAPK1LMNAAPPEGFR
SCHEMBL8544656 0.83 CCNC (0.55) HTTMAPK1LMNAAPPEGFR
SCHEMBL7503084 0.81 KDM4E (0.48) HTTMAPK1LMNAEGFRAURKA
SCHEMBL8543175 0.80 HTT (0.83) HTTMAPK1LMNAAPPEGFR
SCHEMBL9382403 0.80 AURKA (0.51) HTTMAPK1LMNAAPPEGFR
SCHEMBL8546216 0.77 AURKA (0.55) HTTMAPK1LMNAAPPEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5411963-A Plant fungicides, miticides, insecticides DOWELANCO (US) 1995-05-02 — — US claimed
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
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