SCHEMBL5309255

SCHEMBL5309255

C=CC(C)(C)Nc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
MAPK10 P53779 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
PKM P14618 2/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
CYP1A2 P05177 1/20 0.40
CXCR4 P61073 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 2/20 0.38
FABP1 P07148 1/20 0.38
FABP6 P51161 1/20 0.38
KDR P35968 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL7448182 0.78 MEN1 (0.50) MEN1MAPK10GFERKMT2ANPC1
SCHEMBL19581189 0.76 MEN1 (0.48) MEN1MAPK10GFERKMT2ANPC1
SCHEMBL28279163 0.76 MEN1 (0.48) MEN1MAPK10GFERKMT2ANPC1
SCHEMBL9376222 0.75 NPC1 (0.48) MEN1MAPK10GFERKMT2ANPC1
SCHEMBL2128298 0.74 MEN1 (0.42) MEN1MAPK10GFERKMT2ANPC1
SCHEMBL21886188 0.73 SORT1 (0.39) CYP1A2CYP2C19HSD17B10
SCHEMBL19581195 0.72 MEN1 (0.44) MEN1MAPK10GFERKMT2ANPC1
SCHEMBL17700558 0.72 CYP2C19 (0.47) MEN1MAPK10GFERKMT2ANPC1
SCHEMBL29794355 0.72 CYP2C19 (0.47) MEN1MAPK10GFERKMT2ANPC1
SCHEMBL12199218 0.70 NPSR1 (0.46) MEN1MAPK10GFERKMT2ANPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007041677-A9 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX INC (US) 2007-05-31 WO disclosed
WO-2007041593-A2 ANTI-SCARRING DRUG COMBINATIONS AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041677-A2 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041584-A2 IMPLANTABLE SENSORS, IMPLANTABLE PUMPS, AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed