SCHEMBL12290959

SCHEMBL12290959

OC1OCCSc2ccc(Br)cc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BACE1 P56817 1/20 0.31
RAB9A P51151 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
SCHEMBL3747979 0.75 BACE1 (0.39) CTSLMAPTBACE1RAB9A
SCHEMBL30714239 0.75 BACE1 (0.39) CTSLMAPTBACE1RAB9A
SCHEMBL21205316 0.71 HTR2A (0.42) MAPTRAB9A
SCHEMBL12291525 0.71 SLC5A2 (0.34) KDM4EMAPTL3MBTL1
SCHEMBL631582 0.70 RAB9A (0.33) CTSLMAPTBACE1RAB9A
SCHEMBL18293058 0.68 HTR2A (0.42) CTSLBACE1
SCHEMBL18289387 0.68 KDM1A (0.35) CTSLBACE1
SCHEMBL27285662 0.68 CAMK2A (0.42) MAPTRAB9A
SCHEMBL14128167 0.67 HTR2A (0.38) MAPT
SCHEMBL2225883 0.67 NOS3 (0.34) CTSLMAPTBACE1

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-2011107494-A1 NOVEL AROMATIC GLYCOSIDE DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND THE USE THEREOF SANOFI (FR) 2011-09-09 WO disclosed