SCHEMBL10765377

SCHEMBL10765377

C=CC[S+]([O-])c1ccccc1C=C(C)C1=NNC(=O)CC1C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 5/20 0.32
▸ PDE3A Q14432 5/20 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
▸ SLFN12 Q8IYM2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL10760489 0.86 PBRM1 (0.35) PDE3BPDE3APBRM1BRD4CREBBP
SCHEMBL10763206 0.81 PDE3A (0.42) PDE3BPDE3APBRM1BRD4CREBBP
SCHEMBL10765905 0.81 PDE3B (0.38) PDE3BPDE3APBRM1BRD4CREBBP
SCHEMBL10764081 0.81 PDE3B (0.38) PDE3BPDE3APBRM1BRD4CREBBP
SCHEMBL10763886 0.80 PDE3B (0.33) PDE3BPDE3APBRM1BRD4CREBBP
SCHEMBL10766074 0.79 PDE3A (0.40) PDE3BPDE3AGPR119MAPT
SCHEMBL10764444 0.78 HSD17B10 (0.40) PDE3BPDE3AGPR119ALDH1A1MAPT
SCHEMBL10764068 0.78 PDE3B (0.33) PDE3BPDE3APBRM1BRD4CREBBP
SCHEMBL10763554 0.78 KDM4E (0.33) PDE3BPDE3APBRM1BRD4CREBBP
SCHEMBL10763989 0.77 PDE3A (0.34) PDE3BPDE3APBRM1BRD4CREBBP

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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