SCHEMBL7315789

SCHEMBL7315789

COc1cc(C(=O)Nc2ccc(C3=NNC(=O)CC3C)cc2N)cc(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.65
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
ABCB1 P08183 7/20 0.59
ABCC1 P33527 5/20 0.57
PDE3B Q13370 6/20 0.56
PDE3A Q14432 6/20 0.56
PDE4A P27815 2/20 0.56
PDE4B Q07343 2/20 0.56
PDE4C Q08493 2/20 0.56
PDE4D Q08499 2/20 0.56
MAPT P10636 2/20 0.53
GALR3 O60755 1/20 0.47
THRB P10828 1/20 0.47
GPR119 Q8TDV5 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL7321335 0.87 KDM4E (0.85) SMN1; SMN2KDM4EALDH1A1PDE3BPDE3A
SCHEMBL7314234 0.84 SMN1; SMN2 (0.66) SMN1; SMN2KDM4EALDH1A1PDE3BPDE3A
SCHEMBL7315118 0.84 SMN1; SMN2 (0.69) SMN1; SMN2KDM4EALDH1A1PDE3BPDE3A
SCHEMBL11293197 0.83 SMN1; SMN2 (0.67) SMN1; SMN2KDM4EALDH1A1PDE3BPDE3A
SCHEMBL9781451 0.83 SMN1; SMN2 (0.64) SMN1; SMN2KDM4EALDH1A1PDE3BPDE3A
SCHEMBL11283340 0.82 SMN1; SMN2 (0.65) SMN1; SMN2KDM4EALDH1A1PDE3BPDE3A
SCHEMBL7315122 0.81 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EALDH1A1PDE3BPDE3A
SCHEMBL7715104 0.81 SMN1; SMN2 (0.64) SMN1; SMN2KDM4EALDH1A1PDE3BPDE3A
SCHEMBL16157001 0.81 PDE3B (0.77) SMN1; SMN2KDM4EALDH1A1PDE3BPDE3A
SCHEMBL10741604 0.81 PDE3B (0.77) SMN1; SMN2KDM4EALDH1A1PDE3BPDE3A

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
US-4361563-A CARDIOTONIC, ANTITHROMBOTIC DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-11-30 US disclosed
EP-0008391-A1 Benzimidazoles, their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1980-03-05 EP disclosed