SCHEMBL10643153

SCHEMBL10643153

Nc1cnnn1Cc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.57
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 2/20 0.44
MITF O75030 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DHFR P00374 2/20 0.42
MET P08581 2/20 0.41
GRM2 Q14416 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
GAA P10253 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
SCHEMBL16166445 0.84 GAA (0.56) SLC2A1LMNAMAPTHTTNPSR1
SCHEMBL1371186 0.81 KDM4E (0.54) MAPTGRM2IDO1GAAPOLB
SCHEMBL10644152 0.80 L3MBTL1 (0.50) RAB9AGRM2IDO1CYP11B1CYP11B2
SCHEMBL10643826 0.74 CA5A (0.40) MAPTPKMGAAPOLB
SCHEMBL1491118 0.73 KDM4E (0.68) SLC2A1LMNAMAPTRAB9AMITF
SCHEMBL16832376 0.72 SLC2A1 (1.00) SLC2A1MAPTHTTDHFRGAA
SCHEMBL10639487 0.69 MEN1 (0.59) LMNAMAPTRAB9ANPSR1GAA
SCHEMBL18320779 0.69 SLC2A1 (0.58) SLC2A1LMNAMAPTDHFRMET
SCHEMBL17458897 0.69 SLC2A1 (0.58) SLC2A1LMNAMAPTRAB9AMITF
SCHEMBL17731477 0.68 SLC2A1 (0.53) SLC2A1LMNAMAPTRAB9AMITF

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-0288431-A1 3H-1,2,3-triazolo[4,5-d]pyrimidines CIBA-GEIGY AG (CH) 1988-10-26 EP disclosed