SCHEMBL3794341

SCHEMBL3794341

Cn1nc2c(c1CCl)CCC2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PARP1 P09874 1/20 0.31
DRD4 P21917 1/20 0.30
PABPC1 P11940 1/20 0.30
APOBEC3A P31941 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL3618209 0.81 POLB (0.47) POLBGAACYP1A2MAPTTDP1
SCHEMBL12871625 0.78 GAA (0.53) POLBGAACYP1A2MAPTTDP1
SCHEMBL3606808 0.77 GAA (0.52) POLBGAACYP1A2MAPTTDP1
SCHEMBL23082833 0.76 POLB (0.50) POLBGAACYP1A2MAPTTDP1
SCHEMBL3794031 0.74
SCHEMBL13160725 0.71 POLB (0.53) POLBGAACYP1A2MAPTTDP1
SCHEMBL13693061 0.69 POLB (0.57) POLBGAACYP1A2MAPTTDP1
SCHEMBL3610756 0.69 POLB (0.52) POLBGAACYP1A2MAPTTDP1
SCHEMBL12335143 0.69 POLB (0.52) POLBGAACYP1A2MAPTTDP1
SCHEMBL14738537 0.69 POLB (0.52) POLBGAACYP1A2MAPTTDP1

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
WO-2010117425-A1 CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE BIOGEN IDEC MA INC. (US) 2010-10-14 WO disclosed