SCHEMBL10764370

SCHEMBL10764370

C#CCS(=O)(=O)c1ccccc1C=C(C)C1=NNC(=O)CC1C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 7/20 0.34
▸ PDE3A Q14432 7/20 0.34
▸ GPR119 Q8TDV5 5/20 0.32
▸ PBRM1 Q86U86 1/20 0.32
▸ BRD4 O60885 2/20 0.32
▸ CREBBP Q92793 2/20 0.32
▸ TNNC1 P63316 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL10763554 0.86 KDM4E (0.33) PDE3BPDE3AGPR119PBRM1BRD4
SCHEMBL10762863 0.85 BRD4 (0.41) PDE3BPDE3AGPR119PBRM1BRD4
SCHEMBL10762059 0.82 PDE3B (0.41) PDE3BPDE3APBRM1TNNC1KDM4E
SCHEMBL10765539 0.81 PDE3B (0.35) PDE3BPDE3APBRM1BRD4CREBBP
SCHEMBL10764423 0.81 PDE3B (0.40) PDE3BPDE3AGPR119PBRM1BRD4
SCHEMBL10764805 0.80 PDE3A (0.39) PDE3BPDE3AGPR119MAPTSMN1; SMN2
SCHEMBL10764436 0.80 PDE3A (0.37) PDE3BPDE3AGPR119MAPTSMN1; SMN2
SCHEMBL10762866 0.80 PDE3B (0.45) PDE3BPDE3AGPR119PBRM1BRD4
SCHEMBL10765553 0.80 PTGS2 (0.37) PDE3BPDE3AGPR119PBRM1BRD4
SCHEMBL10760108 0.80 MAPT (0.35) PDE3BPDE3AGPR119PBRM1BRD4

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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