SCHEMBL11524601

SCHEMBL11524601

CCCOc1cnc(CC)nc1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.34
LMNA P02545 3/20 0.34
HSD17B10 Q99714 2/20 0.34
TLR8 Q9NR97 1/20 0.34
MCHR1 Q99705 1/20 0.34
LTA4H P09960 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HIF1A Q16665 1/20 0.32
MAPT P10636 4/20 0.32
ATM Q13315 3/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
CA9 Q16790 3/20 0.31

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
SCHEMBL23937859 0.85 AOC3 (0.36) LMNAHSD17B10TLR8MEN1KMT2A
SCHEMBL2876075 0.73 ALOX15 (0.41) HTTLMNALTA4HALDH1A1POLB
SCHEMBL13727051 0.72 LMNA (0.30) LMNA
SCHEMBL7606690 0.71 NOS3 (0.31)
SCHEMBL12820952 0.70 PKM (0.46) TLR8MCHR1KDM4EPKM
SCHEMBL10998377 0.69 DHFR (0.33)
SCHEMBL15196099 0.69 TSHR (0.30)
SCHEMBL11790398 0.68 AOC3 (0.37) LMNAHSD17B10TLR8MEN1KMT2A
SCHEMBL5500327 0.67 PDE10A (0.36) KMT2AMAPTALDH1A1KDM4EPOLB
SCHEMBL13829729 0.67 CNR1 (0.44) HTTLMNATLR8MCHR1MEN1

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
US-4162310-A Combating arthropods with O-alkyl-O-[5-substituted-pyrimidin(4)-yl]-(thiono)(thiol)-phosphoric(phosphonic)acid esters BAYER AKTIENGESELLSCHAFT (DE) 1979-07-24 US disclosed