SCHEMBL789720

SCHEMBL789720

CC1(C)OB(c2ccc(N3CCOCC3)cc2Cl)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 3/20 0.44
MAPT P10636 7/20 0.41
MEN1 O00255 3/20 0.41
HTT P42858 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TMEM97 Q5BJF2 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
CNR2 P34972 1/20 0.40
PRKDC P78527 1/20 0.40
GRM2 Q14416 1/20 0.39
RAD51 Q06609 3/20 0.39
LMNA P02545 2/20 0.39
RAD1 O60671 1/20 0.39

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
SCHEMBL806747 0.87 MEN1 (0.42) MAPTMEN1HTTKMT2AALDH1A1
SCHEMBL24511910 0.86 MAPT (0.44) MAPTMEN1HTTKMT2AALDH1A1
SCHEMBL789351 0.86 MAPT (0.47) LGMNMAPTMEN1HTTKMT2A
SCHEMBL17637634 0.84 LGMN (0.43) LGMNMAPTMEN1HTTKMT2A
SCHEMBL17548072 0.84 LGMN (0.43) LGMNMAPTMEN1HTTKMT2A
SCHEMBL30748846 0.82 ALDH1A1 (0.47) LGMNMAPTMEN1HTTKMT2A
SCHEMBL791178 0.82 ALDH1A1 (0.47) LGMNMAPTMEN1HTTKMT2A
SCHEMBL30180211 0.79 SUV39H2 (0.38) MAPTHTTKDM4EMAPK1GRM2
SCHEMBL30180207 0.79 SUV39H2 (0.38) MAPTHTTKDM4EMAPK1GRM2
SCHEMBL24847183 0.79 SUV39H2 (0.38) MAPTHTTKDM4EMAPK1GRM2

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
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed