SCHEMBL5311972

SCHEMBL5311972

Nc1nc(N)c(/N=N/c2ccccc2)c(O)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.49
KMT2A Q03164 8/20 0.49
TDP1 Q9NUW8 7/20 0.49
POLB P06746 1/20 0.49
ATM Q13315 1/20 0.49
CCNT1 O60563 2/20 0.49
CCNE2 O96020 2/20 0.49
CCNE1 P24864 2/20 0.49
CDK2 P24941 2/20 0.49
CDK9 P50750 2/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
MEN1 O00255 7/20 0.48
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
PKM P14618 2/20 0.48
HTT P42858 1/20 0.48
MAPK1 P28482 6/20 0.46
LMNA P02545 5/20 0.46
CYP1A2 P05177 3/20 0.46

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
SCHEMBL5311974 1.00 MAPT (0.49) MAPTKMT2ATDP1POLBATM
SCHEMBL10708407 0.77 MAPT (0.64) MAPTKMT2ATDP1POLBATM
SCHEMBL10708396 0.77 MAPT (0.64) MAPTKMT2ATDP1POLBATM
SCHEMBL5306843 0.76 KMT2A (0.51) MAPTKMT2ATDP1POLBATM
SCHEMBL5306846 0.76 KMT2A (0.51) MAPTKMT2ATDP1POLBATM
SCHEMBL12313101 0.75 KMT2A (0.46) MAPTKMT2ATDP1POLBATM
SCHEMBL11275822 0.70 MAPT (0.55) MAPTKMT2ATDP1POLBATM
SCHEMBL5304083 0.70 MEN1 (0.57) MAPTKMT2ATDP1CCNT1CCNE2
SCHEMBL29769753 0.70 MEN1 (0.57) MAPTKMT2ATDP1CCNT1CCNE2
SCHEMBL5304078 0.70 MEN1 (0.57) MAPTKMT2ATDP1CCNT1CCNE2

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-2007041677-A9 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX INC (US) 2007-05-31 WO disclosed
WO-2007041677-A2 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed