SCHEMBL10761048

SCHEMBL10761048

CC(=CC1=NNC(=O)CC1C)c1cccc([S+](C)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 15/20 0.40
▸ PDE3A Q14432 15/20 0.40
▸ BRD4 O60885 2/20 0.38
▸ CREBBP Q92793 2/20 0.38
▸ PBRM1 Q86U86 1/20 0.34
▸ GALR3 O60755 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PDE4A P27815 2/20 0.32
▸ PDE4B Q07343 2/20 0.32
▸ PDE4C Q08493 2/20 0.32
▸ PDE4D Q08499 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32

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
SCHEMBL10765960 0.86 PDE3B (0.43) PDE3BPDE3ABRD4CREBBPPBRM1
SCHEMBL10762017 0.86 PDE3B (0.37) PDE3BPDE3ABRD4CREBBPPBRM1
SCHEMBL10766069 0.86 PDE3B (0.37) PDE3BPDE3ABRD4CREBBPPBRM1
SCHEMBL10765976 0.82 PDE3A (0.36) PDE3BPDE3AALDH1A1PDE4APDE4B
SCHEMBL10765916 0.80 PDE3A (0.42) PDE3BPDE3AALDH1A1PDE4APDE4B
SCHEMBL10765517 0.80 PDE3B (0.42) PDE3BPDE3ABRD4CREBBPPBRM1
SCHEMBL10768192 0.79 PDE3A (0.43) PDE3BPDE3AALDH1A1PDE4APDE4B
SCHEMBL10766193 0.79 PDE3A (0.41) PDE3BPDE3AALDH1A1PDE4APDE4B
SCHEMBL10762431 0.79 PDE3A (0.43) PDE3BPDE3AALDH1A1PDE4APDE4B
SCHEMBL10765487 0.79 PDE3B (0.41) PDE3BPDE3ABRD4CREBBPPBRM1

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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