SCHEMBL10695072

SCHEMBL10695072

CCCCn1c(=O)[nH]c(=O)c2c1ncn2CC1(C)OCCO1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
ALDH1A1 P00352 1/20 0.69
BRD4 O60885 4/20 0.67
BRD2 P25440 2/20 0.67
BRD3 Q15059 2/20 0.67
BRDT Q58F21 2/20 0.67
PDE4A P27815 6/20 0.64
ADORA2A P29274 6/20 0.64
PDE4B Q07343 6/20 0.64
PDE4C Q08493 6/20 0.64
PDE4D Q08499 6/20 0.64
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.43
ADORA2B P29275 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 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
SCHEMBL11058131 0.83 PDE4A (0.62) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL10696008 0.83 ADORA2B (0.46) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL7457891 0.82 MEN1 (1.00) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL10695298 0.82 BRD4 (0.67) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL19066317 0.81 BRD4 (1.00) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL11054535 0.80 PDE4A (0.58) BRD4BRD2BRD3BRDTPDE4A
SCHEMBL11399596 0.80 MEN1 (0.95) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL11046863 0.79 PDE4A (0.60) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL7326739 0.78 MEN1 (0.77) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL10694058 0.77 PDE4A (0.63) PDE4AADORA2APDE4BPDE4CPDE4D

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-0260127-A2 Xanthine derivatives, their preparation and pharmaceutical compositions containing them BEECHAM - WUELFING GmbH & Co. KG (DE) 1988-03-16 EP disclosed