SCHEMBL10760131

SCHEMBL10760131

C#CC[S+]([O-])c1cccc(C=CC2=NNC(=O)CC2C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 9/20 0.45
▸ PDE3A Q14432 9/20 0.45
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ MAOB P27338 3/20 0.32
▸ PBRM1 Q86U86 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ MAPT P10636 3/20 0.31
▸ GALR3 O60755 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ THRB P10828 1/20 0.30
▸ GPR119 Q8TDV5 1/20 0.30
▸ SLFN12 Q8IYM2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 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
SCHEMBL10763910 0.87 PDE3B (0.54) PDE3BPDE3APBRM1PDE4APDE4B
SCHEMBL10762928 0.86 PDE3B (0.45) PDE3BPDE3APTGS1PTGS2MAOB
SCHEMBL10763316 0.85 PDE3B (0.50) PDE3BPDE3APTGS1PTGS2MAOB
SCHEMBL10762769 0.81 PDE3B (0.33) PDE3BPDE3APBRM1BRD4CREBBP
SCHEMBL10762017 0.81 PDE3B (0.37) PDE3BPDE3APBRM1BRD4CREBBP
SCHEMBL10765731 0.81 PDE3A (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10765212 0.81 PDE3A (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10762088 0.79 PDE3A (0.42) PDE3BPDE3APTGS1PTGS2PBRM1
SCHEMBL10759912 0.79 PTGS1 (0.57) PDE3BPDE3APTGS1PTGS2MAOB
SCHEMBL10763361 0.78 PDE3B (0.46) PDE3BPDE3APTGS1PTGS2MAOB

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
Send feedback