SCHEMBL362408

SCHEMBL362408

O=CCC(c1ccccc1)(c1ccccc1)c1cc(Cl)ncc1F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.35
KIF11 P52732 3/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31
GABRQ Q9UN88 1/20 0.31
VNN1 O95497 1/20 0.30

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
SCHEMBL364476 0.83 NFE2L2 (0.33) NFE2L2
SCHEMBL362407 0.78 KMT2A (0.32) KIF11
SCHEMBL4461018 0.71 KCNN4 (0.47) KIF11
SCHEMBL440368 0.70 KIF11 (0.41) KIF11
SCHEMBL362974 0.67 KCNN4 (0.35)
SCHEMBL20772358 0.65 KCNQ3 (0.43)
SCHEMBL29628569 0.65 KCNQ3 (0.43)
SCHEMBL370168 0.64 CYP19A1 (0.33) KIF11
SCHEMBL363298 0.64 EGFR (0.32) KIF11
SCHEMBL11955163 0.64 AAK1 (0.33) NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed