SCHEMBL11643244

SCHEMBL11643244

CSc1nc(O)nc(C)c1Br

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
RAB9A P51151 1/20 0.53
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
GLA P06280 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR6 P50406 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
SCHEMBL562422 0.78 LMNA (0.42) ALDH1A1RAB9ALMNAHTT
SCHEMBL29464296 0.72 LMNA (0.37) LMNA
SCHEMBL22055454 0.72 LMNA (0.37) LMNA
SCHEMBL11644979 0.72 LMNA (0.37) LMNA
SCHEMBL11641020 0.65 ALDH1A1 (0.51) ALDH1A1GAALMNAMEN1TSHR
SCHEMBL9580270 0.63 ALDH1A1 (0.44) ALDH1A1RAB9ALMNAHTT
SCHEMBL1585949 0.61
SCHEMBL10392936 0.61 MB (0.33)
SCHEMBL9613932 0.59 NQO2 (0.41) ALDH1A1RAB9ALMNAHTT
SCHEMBL11440681 0.58

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-4113860-A O-alkyl-O-[4-alkylpyrimidin(2)yl]-(thiono)-(thiol) phosphoric (phosphonic) acid esters and insecticidal, acaricidal and nematocidal compositions containing them BAYER AKTIENGESELLSCHAFT (DE) 1978-09-12 US disclosed