SCHEMBL7315122

SCHEMBL7315122

COc1cc(SC)ccc1C(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.56
MAPT P10636 7/20 0.56
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.55
PDE3B Q13370 3/20 0.52
PDE3A Q14432 3/20 0.52
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
NPC1 O15118 9/20 0.48
RAB9A P51151 9/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 3/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
MITF O75030 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
NFKB1 P19838 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
SCHEMBL7315789 0.81 SMN1; SMN2 (0.65) SMN1; SMN2MAPTALDH1A1KDM4EPDE3B
SCHEMBL7314522 0.80 SMN1; SMN2 (0.66) SMN1; SMN2MAPTALDH1A1KDM4EPDE3B
SCHEMBL7321335 0.79 KDM4E (0.85) SMN1; SMN2MAPTALDH1A1KDM4EPDE3B
SCHEMBL7350479 0.78 PDE3B (0.57) SMN1; SMN2MAPTALDH1A1KDM4EPDE3B
SCHEMBL16157001 0.77 PDE3B (0.77) SMN1; SMN2MAPTALDH1A1KDM4EPDE3B
SCHEMBL10741604 0.77 PDE3B (0.77) SMN1; SMN2MAPTALDH1A1KDM4EPDE3B
SCHEMBL7315118 0.77 SMN1; SMN2 (0.69) SMN1; SMN2MAPTALDH1A1KDM4EPDE3B
SCHEMBL7314234 0.77 SMN1; SMN2 (0.66) SMN1; SMN2MAPTALDH1A1KDM4EPDE3B
SCHEMBL7321907 0.76 SMN1; SMN2 (0.60) SMN1; SMN2MAPTALDH1A1KDM4EPDE3B
SCHEMBL9781451 0.76 SMN1; SMN2 (0.64) SMN1; SMN2MAPTALDH1A1KDM4EPDE3B

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