SCHEMBL8540665

SCHEMBL8540665

FC(F)(F)c1cccc(CCOc2ncnc3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
EGFR P00533 3/20 0.49
ABCG2 Q9UNQ0 2/20 0.49
BRAF P15056 1/20 0.48
KDR P35968 1/20 0.48
MAPK14 Q16539 1/20 0.48
TNNI3K Q59H18 1/20 0.48
HTT P42858 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
LMNA P02545 2/20 0.44
APP P05067 2/20 0.43
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43

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
SCHEMBL8541083 0.94 TSHR (0.49) TSHRRAB9ANPC1L3MBTL1EGFR
SCHEMBL8544690 0.90 RAB9A (0.52) TSHRRAB9ANPC1L3MBTL1EGFR
Hydrochloric Acid SCHEMBL27889646 0.86 RAB9A (0.49) TSHRRAB9ANPC1L3MBTL1EGFR
SCHEMBL8543530 0.86 RAB9A (0.54) TSHRRAB9ANPC1L3MBTL1EGFR
SCHEMBL8545631 0.85 MAPK14 (0.52) TSHRRAB9ANPC1L3MBTL1EGFR
SCHEMBL8547515 0.83 AURKA (0.46) SIRT2TAAR1AURKARPS6KB1IDO1
SCHEMBL8548739 0.81 RAB9A (0.69) TSHRRAB9ANPC1L3MBTL1EGFR
SCHEMBL8544270 0.81 RAB9A (0.57) TSHRRAB9ANPC1L3MBTL1EGFR
SCHEMBL8546082 0.81 RAB9A (0.54) TSHRRAB9ANPC1L3MBTL1EGFR
SCHEMBL8547183 0.81 RAB9A (0.54) TSHRRAB9ANPC1L3MBTL1EGFR

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