SCHEMBL10765623

SCHEMBL10765623

C=CCS(=O)(=O)c1ccccc1C=CC1=NNC(=O)CC1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 8/20 0.43
▸ PDE3B Q13370 6/20 0.43
▸ BRD4 O60885 4/20 0.39
▸ CREBBP Q92793 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PBRM1 Q86U86 1/20 0.34
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GPR119 Q8TDV5 3/20 0.32
▸ PDE4B Q07343 3/20 0.31
▸ PDE5A O76074 2/20 0.31

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
SCHEMBL10762866 0.85 PDE3B (0.45) PDE3APDE3BBRD4CREBBPPBRM1
SCHEMBL10760629 0.84 CREBBP (0.54) PDE3APDE3BBRD4CREBBPPBRM1
SCHEMBL10763554 0.80 KDM4E (0.33) PDE3APDE3BBRD4CREBBPALDH1A1
SCHEMBL10769112 0.80 PDE3B (0.39) PDE3APDE3BBRD4CREBBPALDH1A1
SCHEMBL10764072 0.80 PDE3B (0.57) PDE3APDE3BALDH1A1KDM4EPBRM1
SCHEMBL10766791 0.79 PDE3B (0.46) PDE3APDE3BBRD4CREBBPPBRM1
SCHEMBL10765683 0.78 PDE3A (0.45) PDE3APDE3BALDH1A1KMT2AL3MBTL1
SCHEMBL10764735 0.78 PDE3A (0.45) PDE3APDE3BKDM4ELMNAMAPT
SCHEMBL10767198 0.77 PTGS2 (0.53) PDE3APDE3BBRD4CREBBPALDH1A1
SCHEMBL10763296 0.77 PDE3A (0.43) PDE3APDE3BBRD4CREBBPALDH1A1

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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