SCHEMBL17865332

SCHEMBL17865332

CC(=O)CCc1ccc(C2(C(F)(F)F)N=N2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KIF11 P52732 1/20 0.44
GABRA1 P14867 3/20 0.40
GABRB2 P47870 2/20 0.40
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MAOA P21397 1/20 0.38
SLC6A2 P23975 1/20 0.38
RAB9A P51151 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
DUSP3 P51452 1/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL17791489 0.86 FFAR1 (0.49) KIF11FFAR1
SCHEMBL19733925 0.85 KIF11 (0.43) ALDH1A1KIF11GABRA1GABRB2CYP1A2
SCHEMBL20844363 0.83 KIF11 (0.43) KIF11GABRA1GABRB2CYP1A2CYP3A4
SCHEMBL17600536 0.83 KIF11 (0.43) ALDH1A1KIF11GABRA1GABRB2CYP1A2
SCHEMBL19399248 0.79 THRA (0.40) KIF11GABRA1GABRB2NPC1LMNA
SCHEMBL18969775 0.78 KIF11 (0.40) KIF11GABRA1GABRB2NPC1MAPT
SCHEMBL19733889 0.78 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP3A4KDM4ENPC1
SCHEMBL22632172 0.77 KMT2A (0.49) ALDH1A1KIF11KDM4ENPC1MAPT
SCHEMBL17600535 0.77 KIF11 (0.49) KIF11GABRA1GABRB2SMN1; SMN2GABRG2
SCHEMBL31751418 0.76 KIF11 (0.41) KIF11GABRA1GABRB2GABRG2GABRB3

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-2016096897-A1 COSMETIC METHOD FOR CONTROLLING ODORS L'OREAL (FR) 2016-06-23 WO disclosed