SCHEMBL10763554

SCHEMBL10763554

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PDE3B Q13370 3/20 0.32
▸ PDE3A Q14432 3/20 0.32
▸ PBRM1 Q86U86 1/20 0.32
▸ BRD4 O60885 2/20 0.32
▸ CREBBP Q92793 2/20 0.32
▸ GPR119 Q8TDV5 3/20 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
SCHEMBL10764370 0.86 PDE3B (0.34) KDM4EALDH1A1PDE3BPDE3APBRM1
SCHEMBL10762863 0.85 BRD4 (0.41) PDE3BPDE3APBRM1BRD4CREBBP
SCHEMBL10764416 0.81 PDE3A (0.40) PDE3BPDE3APBRM1
SCHEMBL10765623 0.80 PDE3A (0.43) KDM4EALDH1A1PDE3BPDE3APBRM1
SCHEMBL10763597 0.80 PDE3B (0.33) PDE3BPDE3APBRM1BRD4CREBBP
SCHEMBL10769112 0.80 PDE3B (0.39) KDM4EALDH1A1PDE3BPDE3APBRM1
SCHEMBL10764068 0.78 PDE3B (0.33) ALDH1A1PDE3BPDE3APBRM1BRD4
SCHEMBL10764444 0.78 HSD17B10 (0.40) ALDH1A1PDE3BPDE3AGPR119
SCHEMBL10765377 0.78 PDE3B (0.32) ALDH1A1PDE3BPDE3APBRM1BRD4
SCHEMBL10761913 0.76 BRD4 (0.35) KDM4EPDE3BPDE3APBRM1BRD4

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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