SCHEMBL9847103

SCHEMBL9847103

CCCCCCCCCCCCCc1ccc2nc(C)[nH]c2c1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.43
KCNH2 Q12809 1/20 0.38
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX5 P09917 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TLR8 Q9NR97 3/20 0.36
PTGS2 P35354 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35

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
SCHEMBL9847102 0.87 TYMS (0.35) MAPTKMT2ATDP1
SCHEMBL29037270 0.82 TLR8 (0.45) KCNH2TLR8PTGS2LIPG
SCHEMBL18286706 0.80 TYMS (0.43) MAPTTDP1
SCHEMBL28193852 0.77 PARP1 (0.37) TYRHTTKMT2ATLR8
SCHEMBL9847100 0.76 TYR (0.43) TYRKCNH2MEN1TP53CYP3A4
SCHEMBL29094812 0.74 PTGS2 (0.38) TYRKCNH2MEN1TP53CYP3A4
SCHEMBL6759157 0.73 PI4KA (0.43) MEN1MAPTKMT2ATDP1PI4KA
SCHEMBL6753934 0.73 PI4KA (0.43) MEN1MAPTKMT2ATDP1PI4KA
SCHEMBL6753880 0.73 PI4KA (0.43) MEN1MAPTKMT2ATDP1PI4KA
SCHEMBL6755290 0.73 PI4KA (0.43) MEN1MAPTKMT2ATDP1PI4KA

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-0428260-A2 Metal surface treatment agents SANWA LABORATORY LTD. (JP) 1991-05-22 EP claimed