SCHEMBL8548181

SCHEMBL8548181

Fc1cccc2c(OCCc3ccc(Cl)cc3)ncnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AURKA O14965 4/20 0.36
RPS6KB1 P23443 4/20 0.36
ELOVL1 Q9BW60 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
SLC2A1 P11166 1/20 0.35
EGFR P00533 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
GRM5 P41594 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
SCHEMBL9383256 0.94 TRPA1 (0.39) TRPA1HTTLMNAPOLBGPR84
SCHEMBL8548684 0.88 RAB9A (0.42) HTTLMNAPOLBNPC1RAB9A
SCHEMBL8544014 0.87 ELOVL1 (0.39) HTTLMNAPOLBNPC1RAB9A
SCHEMBL8545027 0.86 ELOVL1 (0.36) TRPA1HTTLMNAPOLBNPC1
SCHEMBL8548285 0.86 GABRA1 (0.39) HTTLMNAPOLBNPC1RAB9A
SCHEMBL9385263 0.85 EGFR (0.41) TRPA1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8542280 0.85 AURKA (0.47) POLBNPC1RAB9ASMN1; SMN2AURKA
SCHEMBL8541261 0.84 ELOVL1 (0.36) HTTLMNAPOLBNPC1RAB9A
SCHEMBL8547249 0.84 AURKA (0.45) LMNAPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL8543586 0.84 RAB9A (0.51) HTTLMNAPOLBNPC1RAB9A

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