SCHEMBL9388070

SCHEMBL9388070

Fc1cccc2c(OCCc3ccc(OCC(F)(F)F)nc3)ncnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ELOVL1 Q9BW60 2/20 0.34
▸ SCN9A Q15858 3/20 0.34
▸ CACNA1G O43497 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ CACNA1I Q9P0X4 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ AURKA O14965 2/20 0.32
▸ RPS6KB1 P23443 2/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ EPHX2 P34913 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CYP2J2 P51589 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9382944 0.85 RAB9A (0.36) L3MBTL1ELOVL1POLBMAPK1AURKA
SCHEMBL9388160 0.83 KDM4E (0.36) ELOVL1SCN9AALDH1A1
SCHEMBL9388115 0.81 AURKA (0.42) SCN9APOLBMAPK1AURKARPS6KB1
SCHEMBL9304608 0.81 LIPE (0.43) SCN9AMAPK1NPSR1MAPTLMNA
SCHEMBL9469206 0.77 AURKA (0.42) L3MBTL1SCN9APOLBAURKARPS6KB1
SCHEMBL8547515 0.77 AURKA (0.46) AURKARPS6KB1AURKB
SCHEMBL8548684 0.77 RAB9A (0.42) L3MBTL1POLBMAPK1AURKARPS6KB1
SCHEMBL9389676 0.77 AURKA (0.41) AURKARPS6KB1AURKBEPHX2
SCHEMBL8544014 0.77 ELOVL1 (0.39) L3MBTL1ELOVL1POLBMAPK1AURKA
SCHEMBL8548181 0.77 TRPA1 (0.43) L3MBTL1ELOVL1POLBAURKARPS6KB1

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
WO-1994004527-A1 PYRIDYLETHOXY-, PYRIDYLETHYLAMINO-, AND PYRIDYLPROPYL-DERIVATIVES OF QUINOLINE AND QUINAZOLINE AS INSECTICIDES AND FUNGICIDES DOWELANCO (US) 1994-03-03 — — WO claimed
Send feedback