SCHEMBL3395670

SCHEMBL3395670

O=C(O)n1nc(-c2cccc(Cl)n2)cc1CBr

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.32
PDE10A Q9Y233 2/20 0.32
ALDH1A1 P00352 3/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
AGTR1 P30556 1/20 0.31
F2 P00734 1/20 0.30
GRM5 P41594 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
SCHEMBL3395714 0.79 ENPP3 (0.36) PDE10AALDH1A1GAAMAPTHPGD
SCHEMBL3394445 0.77 ALPL (0.43) ALDH1A1MAPTHPGD
SCHEMBL3431052 0.71 CNR1 (0.37) ALDH1A1MAPTHPGDGRM5
SCHEMBL3395630 0.70 HDAC6 (0.44) ALDH1A1MAPTF2GRM5
SCHEMBL3390188 0.70 F11 (0.42) GRM5
SCHEMBL3392233 0.68 PTGER4 (0.39) ALDH1A1HPGDF2GRM5
SCHEMBL3394902 0.68 GSK3B (0.39)
SCHEMBL30492599 0.66 CYP3A4 (0.50) ALDH1A1
SCHEMBL1071454 0.66 CYP3A4 (0.50) ALDH1A1
SCHEMBL13425942 0.65 HSP90AA1 (0.41) PDE10AGAAGRM5

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed