SCHEMBL10762902

SCHEMBL10762902

C#CCSc1ccccc1C=CC1=NNC(=O)CC1C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 8/20 0.43
▸ PDE3B Q13370 6/20 0.43
▸ PTGS2 P35354 2/20 0.34
▸ PBRM1 Q86U86 1/20 0.34
▸ PDE4B Q07343 3/20 0.33
▸ PDE5A O76074 2/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ GPR119 Q8TDV5 4/20 0.32
▸ CREBBP Q92793 3/20 0.31
▸ BRD4 O60885 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
SCHEMBL10763296 0.83 PDE3A (0.43) PDE3APDE3BPTGS2PBRM1PDE4B
SCHEMBL10760321 0.83 PDE3A (0.48) PDE3APDE3BPTGS2PBRM1PDE4B
SCHEMBL10764678 0.80 PDE3B (0.43) PDE3APDE3BPTGS2PBRM1PDE4B
SCHEMBL10765553 0.80 PTGS2 (0.37) PDE3APDE3BPTGS2PBRM1PDE4B
SCHEMBL10763298 0.80 PDE3A (0.39) PDE3APDE3BPTGS2PBRM1PDE4B
SCHEMBL10765802 0.80 PDE3B (0.55) PDE3APDE3BPBRM1PDE4BGPR119
SCHEMBL10763361 0.79 PDE3B (0.46) PDE3APDE3BPTGS2PBRM1PDE4B
SCHEMBL10762866 0.78 PDE3B (0.45) PDE3APDE3BPTGS2PBRM1PTGS1
SCHEMBL10762088 0.77 PDE3A (0.42) PDE3APDE3BPTGS2PBRM1PDE4B
SCHEMBL10761709 0.77 PTGS2 (0.53) PDE3APDE3BPTGS2PDE4BPDE5A

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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