SCHEMBL29779255

SCHEMBL29779255

COc1ccc(Oc2ccccc2C)c(C#N)c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.69
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
SLC22A12 Q96S37 3/20 0.48
BCAT1 P54687 4/20 0.46
IMPDH2 P12268 1/20 0.45
IMPDH1 P20839 1/20 0.45
SCN9A Q15858 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL15268658 0.86 AR (0.75) ARPOLBGAA
SCHEMBL4178171 0.82 AR (1.00) ARPOLBGAASLC22A12BCAT1
SCHEMBL28625665 0.80 AR (0.61) ARPOLBGAASLC22A12BCAT1
SCHEMBL30730992 0.78 ALDH1A1 (0.63) ARPOLBGAAIMPDH2IMPDH1
SCHEMBL1762094 0.78 ALDH1A1 (0.63) ARPOLBGAAIMPDH2IMPDH1
SCHEMBL9560109 0.78 MAOB (0.57) ARPOLBGAAIMPDH2IMPDH1
SCHEMBL24824003 0.77 AR (0.62) ARBCAT1
SCHEMBL18615595 0.76 IMPDH2 (0.62) ARPOLBGAASLC22A12BCAT1
SCHEMBL13875554 0.76 AR (0.69) ARPOLBGAABCAT1
SCHEMBL4175953 0.76 AR (1.00) ARPOLBGAASLC22A12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4038054-A1 PYRIMIDINEDIONE DERIVATIVES Bayer Aktiengesellschaft (DE) 2022-08-10 EP claimed
EP-4038054-A1 PYRIMIDINEDIONE DERIVATIVES Bayer Aktiengesellschaft (DE) 2022-08-10 EP disclosed