SCHEMBL10767466

SCHEMBL10767466

COc1cccc(C=CC2=NNC(=O)CC2C)c1S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ PDE3A Q14432 10/20 0.43
▸ PDE3B Q13370 6/20 0.43
▸ PDE4B Q07343 5/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ GPR119 Q8TDV5 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CREBBP Q92793 3/20 0.37
▸ BRD4 O60885 2/20 0.37
▸ ACHE P22303 1/20 0.34
▸ PBRM1 Q86U86 1/20 0.34

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
SCHEMBL10764372 0.85 PTGS2 (0.60) PTGS1PTGS2PDE3APDE3BPDE4B
SCHEMBL10764086 0.84 PTGS1 (0.47) PTGS1PTGS2PDE3APDE3BPDE4B
SCHEMBL10764292 0.83 PDE3A (0.43) PTGS1PTGS2PDE3APDE3BPDE4B
SCHEMBL10763333 0.83 CREBBP (0.43) PTGS1PTGS2PDE3APDE3BPDE4B
SCHEMBL10764225 0.82 PDE3A (0.48) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10765644 0.82 PDE3A (0.41) PTGS1PTGS2PDE3APDE3BPDE4B
SCHEMBL10764456 0.81 PTGS1 (0.45) PTGS1PTGS2PDE3APDE3BPDE4B
SCHEMBL10764051 0.80 PDE3A (0.46) PTGS1PTGS2PDE3APDE3BPDE4B
SCHEMBL10762558 0.80 PDE3A (0.44) PTGS1PTGS2PDE3APDE3BPDE4B
SCHEMBL10765410 0.80 PDE3A (0.39) PTGS1PTGS2PDE3APDE3BPDE4B

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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