SCHEMBL11200539

SCHEMBL11200539

Cc1[nH]cc(-c2ccccc2)c1C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.67
BCAT2 O15382 2/20 0.46
BRD4 O60885 1/20 0.45
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
NOTUM Q6P988 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
CDC7 O00311 2/20 0.41
ROCK2 O75116 2/20 0.41
PIM1 P11309 2/20 0.41
CDK2 P24941 2/20 0.41
GSK3B P49841 2/20 0.41

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
SCHEMBL30532583 0.86 HTT (0.71) HTTMEN1KMT2ANOTUMPDE4A
SCHEMBL28647270 0.84 HTT (0.69) HTTKMT2ANOTUMPDE4APDE4B
SCHEMBL9433063 0.83 HTT (0.67) HTTMEN1GAAKMT2ANOTUM
SCHEMBL22086338 0.81 HTT (0.47) HTTBCAT2MEN1GAAKMT2A
SCHEMBL20898163 0.81 HTT (0.47) HTTBCAT2MEN1GAAKMT2A
SCHEMBL9805097 0.80 HTT (1.00) HTTMEN1GAAKMT2AEGFR
SCHEMBL6469331 0.80 HTT (0.44) HTTCCNCCDK8PARP1IRAK4
SCHEMBL11163629 0.78 HTT (0.64) HTTMEN1GAAKMT2APIM1
SCHEMBL9805088 0.78 HTT (0.73) HTTMEN1GAAKMT2AMAPK1
Thiodiglycol SCHEMBL11184927 0.75 HTT (0.57) HTTKMT2ANOTUMPDE4APDE4B

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-4369276-A Pyrrole stabilizers for chlorine-containing thermoplastics CIBA-GEIGY CORPORATION (US) 1983-01-18 US disclosed