SCHEMBL10168237

SCHEMBL10168237

Cc1ccc(-c2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP8 P40818 1/20 0.48
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
GAA P10253 3/20 0.42
RPA1 P27694 4/20 0.42
TSHR P16473 1/20 0.39
CYP2A6 P11509 2/20 0.39
FABP3 P05413 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL13901964 0.93 USP8 (0.52) USP8NPC1MAPTRAB9ACA12
SCHEMBL15070232 0.87 CYP3A4 (0.56) USP8NPC1MAPTRAB9ACA12
SCHEMBL10168238 0.85 MKNK1 (0.55) USP8NPC1MAPTRAB9ARPA1
SCHEMBL15070407 0.85 USP8 (0.44) USP8NPC1MAPTRAB9ACA12
SCHEMBL14626195 0.84 MKNK1 (0.43) USP8NPC1MAPTRAB9ARPA1
SCHEMBL15070234 0.83 USP8 (0.49) USP8NPC1MAPTRAB9ACA12
SCHEMBL13902067 0.79 HPGDS (0.45) USP8NPC1MAPTRAB9ARPA1
SCHEMBL13902340 0.79 HDAC3 (0.43) USP8NPC1MAPTRAB9ARPA1
SCHEMBL10167894 0.78 MAPT (0.54) USP8NPC1MAPTRAB9ACA12
SCHEMBL13902368 0.77 GGT1 (0.48)

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
EP-1534680-B1 PRENYLATION INHIBITORS AND METHODS OF THEIR SYNTHESIS AND USE PHARMACO INVESTMENTS INC (US) 2012-02-22 EP disclosed