SCHEMBL10168077

SCHEMBL10168077

CBc1cc(-c2cccnc2)nn1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
USP8 P40818 1/20 0.44
GAA P10253 3/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TSHR P16473 1/20 0.40
ABL1 P00519 1/20 0.40
RPA1 P27694 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTT P42858 1/20 0.40
KDR P35968 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
SCHEMBL10167894 0.82 MAPT (0.54) MAPTNPC1RAB9AUSP8GAA
SCHEMBL10168067 0.81 MAPT (0.53) MAPTNPC1RAB9AUSP8GAA
SCHEMBL630468 0.81 MAPT (0.53) MAPTNPC1RAB9AUSP8GAA
SCHEMBL13902032 0.79 MAPT (0.51) MAPTNPC1RAB9AUSP8GAA
SCHEMBL10168248 0.79 MAPT (0.51) MAPTNPC1RAB9AUSP8GAA
SCHEMBL13901964 0.77 USP8 (0.52) MAPTNPC1RAB9AUSP8GAA
SCHEMBL10168237 0.76 USP8 (0.48) MAPTNPC1RAB9AUSP8GAA
SCHEMBL14495190 0.75 USP8 (0.50) MAPTNPC1RAB9AUSP8GAA
SCHEMBL15070234 0.74 USP8 (0.49) MAPTNPC1RAB9AUSP8GAA
SCHEMBL13902189 0.74 RPA1 (0.65) MAPTNPC1RAB9AUSP8RPA1

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