SCHEMBL11160053

SCHEMBL11160053

COc1cccc(OC(=O)Nc2ccc(C3=NNC(=O)CC3C)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 13/20 0.63
▸ PDE3A Q14432 13/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ MAPT P10636 2/20 0.61
▸ KDM4E B2RXH2 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ GPR119 Q8TDV5 2/20 0.52
▸ PDE4A P27815 3/20 0.51
▸ PDE4B Q07343 3/20 0.51
▸ PDE4C Q08493 3/20 0.51
▸ PDE4D Q08499 3/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ TNNC1 P63316 1/20 0.48

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
SCHEMBL11172357 0.90 PDE3B (0.66) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL11169119 0.90 PDE3B (0.63) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
Water SCHEMBL11167773 0.89 PDE3B (0.65) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL11176102 0.89 PDE3B (0.72) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL11157793 0.87 PDE3B (0.59) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL11173937 0.86 PDE3B (0.78) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL11160996 0.84 PDE3B (0.78) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL11119840 0.84 SMN1; SMN2 (0.74) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL11159409 0.82 PDE3B (0.67) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL11164631 0.82 PDE3B (0.67) PDE3BPDE3ASMN1; SMN2MAPTKDM4E

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-4415571-A HYPOTENSIVE AGENTS; THROMBOSIS; ANTICOAGULANTS; CARDIOVASCULAR DISORDDERS BASF AKTIENGESELLSCHAFT (DE) 1983-11-15 — — US disclosed
EP-0042513-A1 Dihydropyridazinones, processes for their preparation and pharmaceutical compositions containing these compounds BASF Aktiengesellschaft (DE) 1981-12-30 — — EP disclosed
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