SCHEMBL10765802

SCHEMBL10765802

C#CCSc1ccc(C=CC2=NNC(=O)CC2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 12/20 0.55
▸ PDE3A Q14432 12/20 0.55
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ GAA P10253 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ PBRM1 Q86U86 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PDE4A P27815 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
SCHEMBL10763361 0.87 PDE3B (0.46) PDE3BPDE3APBRM1PDE4APDE4B
SCHEMBL10765188 0.83 PDE3B (0.56) PDE3BPDE3AGAAMAPTALDH1A1
SCHEMBL10761240 0.82 PDE3B (0.62) PDE3BPDE3AGAAMAPTALDH1A1
SCHEMBL10762902 0.80 PDE3A (0.43) PDE3BPDE3APBRM1PDE4BGPR119
SCHEMBL10765345 0.80 PDE3B (0.56) PDE3BPDE3ACA12CA1CA2
SCHEMBL10766286 0.79 PDE3B (0.38) PDE3BPDE3ACA12CA1CA2
SCHEMBL10759798 0.79 PDE3B (0.59) PDE3BPDE3AGAAMAPTLMNA
SCHEMBL10763910 0.79 PDE3B (0.54) PDE3BPDE3AGAAMAPTALDH1A1
SCHEMBL10761737 0.78 PDE3B (0.67) PDE3BPDE3AGAAMAPTALDH1A1
SCHEMBL7285568 0.76 PDE3B (0.65) PDE3BPDE3AGAAMAPTLMNA

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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