SCHEMBL367796

SCHEMBL367796

NC(=S)Nc1cc(C(F)(F)F)c(F)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
EPHX1 P07099 2/20 0.37
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
KIF11 P52732 2/20 0.35
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX12 P18054 1/20 0.32
CYP2C19 P33261 1/20 0.32
P2RX4 Q99571 1/20 0.31
P2RX7 Q99572 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
SCHEMBL4568241 0.77 PTPN5 (0.38) L3MBTL1EPHX1KMT2AMAPTSMN1; SMN2
SCHEMBL18550749 0.72 L3MBTL1 (0.43) L3MBTL1EPHX1PTPN7DUSP3KIF11
SCHEMBL31394432 0.72 L3MBTL1 (0.51) L3MBTL1KIF11KMT2AMAPTSMN1; SMN2
SCHEMBL18340946 0.72 L3MBTL1 (0.51) L3MBTL1KIF11KMT2AMAPTSMN1; SMN2
SCHEMBL5437194 0.72 KIF11 (0.54) KIF11
SCHEMBL3660048 0.70 L3MBTL1 (0.48) L3MBTL1KIF11KMT2AMAPTGAA
SCHEMBL2579126 0.70 KIF11 (0.51) EPHX1KIF11KMT2AMAPTGAA
SCHEMBL31321380 0.70 L3MBTL1 (0.41) L3MBTL1KIF11KMT2AGAASMN1; SMN2
SCHEMBL23496839 0.69 L3MBTL1 (0.56) L3MBTL1KIF11KMT2AMAPTGAA
SCHEMBL29876645 0.69 L3MBTL1 (0.56) L3MBTL1KIF11KMT2AMAPTGAA

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-2012007510-A1 COMPOUNDS FOR BINDING AND IMAGING AMYLOID PLAQUES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 WO disclosed