SCHEMBL8056958

SCHEMBL8056958

CC(C)(C)c1cc(-c2nc3ncn(Cc4ccccc4)c3c(=O)[nH]2)cc(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 2/20 0.51
ADORA3 P0DMS8 1/20 0.43
GAA P10253 1/20 0.42
BRD4 O60885 1/20 0.42
ADORA2B P29275 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PNP P00491 2/20 0.40
PARN O95453 1/20 0.40
CNOT7 Q9UIV1 1/20 0.40
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
POLB P06746 2/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7974486 0.88 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HPGDKMT2AADORA3
SCHEMBL7985321 0.87 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1HPGDKMT2AADORA3
SCHEMBL7986235 0.87 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1HPGDKMT2AADORA3
SCHEMBL7975265 0.85 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1HPGDKMT2AADORA3
SCHEMBL7988785 0.84 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1HPGDKMT2AADORA3
SCHEMBL7984971 0.83 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1HPGDKMT2AHIF1A
SCHEMBL8056964 0.83 CNOT7 (0.47) SMN1; SMN2ALDH1A1HPGDKMT2AADORA3
SCHEMBL7984883 0.83 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HPGDKMT2AGAA
SCHEMBL7985355 0.83 GAA (0.56) SMN1; SMN2ALDH1A1HPGDKMT2AADORA3
SCHEMBL7988680 0.83 HPGD (0.46) SMN1; SMN2ALDH1A1HPGDKMT2AADORA3

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-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed