SCHEMBL8544690

SCHEMBL8544690

FC(F)(F)c1cc(CCOc2ncnc3ccccc23)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
TSHR P16473 2/20 0.52
NPC1 O15118 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 3/20 0.46
POLB P06746 1/20 0.44
KDR P35968 2/20 0.43
BRAF P15056 1/20 0.43
MAPK14 Q16539 1/20 0.43
TNNI3K Q59H18 1/20 0.43
TACR1 P25103 3/20 0.42
EGFR P00533 3/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
HTT P42858 1/20 0.41
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
GPR84 Q9NQS5 1/20 0.39

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
SCHEMBL8540665 0.90 TSHR (0.50) RAB9ATSHRNPC1L3MBTL1CYP1A2
SCHEMBL8543530 0.88 RAB9A (0.54) RAB9ATSHRNPC1L3MBTL1CYP1A2
SCHEMBL8541083 0.84 TSHR (0.49) RAB9ATSHRNPC1L3MBTL1CYP1A2
SCHEMBL8545631 0.81 MAPK14 (0.52) RAB9ATSHRNPC1L3MBTL1CYP1A2
SCHEMBL8548739 0.80 RAB9A (0.69) RAB9ATSHRNPC1L3MBTL1CYP1A2
SCHEMBL9384621 0.80 RAB9A (0.57) RAB9ATSHRNPC1L3MBTL1CYP1A2
SCHEMBL8546894 0.79 LMNA (0.64) RAB9ATSHRNPC1L3MBTL1CYP1A2
Hydrochloric Acid SCHEMBL27889646 0.79 RAB9A (0.49) RAB9ATSHRNPC1L3MBTL1CYP1A2
SCHEMBL8542552 0.78 RAB9A (0.55) RAB9ATSHRNPC1L3MBTL1CYP1A2
SCHEMBL9163687 0.78 RAB9A (0.55) RAB9ATSHRNPC1L3MBTL1CYP1A2

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