SCHEMBL10763566

SCHEMBL10763566

COc1c(C=CC2=NNC(=O)CC2C)cccc1SC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 9/20 0.43
▸ PDE3B Q13370 8/20 0.43
▸ PDE4B Q07343 3/20 0.37
▸ PDE4A P27815 2/20 0.37
▸ PDE4C Q08493 2/20 0.37
▸ PDE4D Q08499 2/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ BRD4 O60885 3/20 0.35
▸ CREBBP Q92793 3/20 0.35
▸ GPR119 Q8TDV5 3/20 0.35
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ PBRM1 Q86U86 1/20 0.34
▸ ABCB11 O95342 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL10760321 0.86 PDE3A (0.48) PDE3APDE3BPDE4BPTGS1PTGS2
SCHEMBL10764086 0.85 PTGS1 (0.47) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10763998 0.82 PDE3A (0.43) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10764456 0.82 PTGS1 (0.45) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10763333 0.81 CREBBP (0.43) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10763120 0.81 PDE3A (0.42) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10763860 0.80 PDE3B (0.44) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10763163 0.80 PDE3B (0.43) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10763727 0.80 PDE3A (0.39) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10766718 0.80 PDE3A (0.35) PDE3APDE3BPDE4BPDE4APDE4C

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-0210530-A1 6-Arylalkenyl pyridazinones MERCK PATENT GmbH (DE) 1987-02-04 — — EP disclosed
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