SCHEMBL10764423

SCHEMBL10764423

C#CCS(=O)(=O)c1ccccc1C(C)=CC1=NNC(=O)CC1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 11/20 0.40
▸ PDE3A Q14432 11/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PBRM1 Q86U86 1/20 0.32
▸ TNNC1 P63316 1/20 0.31
▸ GPR119 Q8TDV5 3/20 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
SCHEMBL10769112 0.85 PDE3B (0.39) PDE3BPDE3ASMN1; SMN2MAPTBRD4
SCHEMBL10760714 0.84 PDE3A (0.42) PDE3BPDE3ASMN1; SMN2MAPTBRD4
SCHEMBL10761795 0.82 PDE3B (0.43) PDE3BPDE3ABRD4CREBBPTSHR
SCHEMBL10762866 0.81 PDE3B (0.45) PDE3BPDE3ABRD4CREBBPPBRM1
SCHEMBL10764370 0.81 PDE3B (0.34) PDE3BPDE3ASMN1; SMN2MAPTBRD4
SCHEMBL10766237 0.80 PDE3B (0.39) PDE3BPDE3ABRD4CREBBPTSHR
SCHEMBL10769779 0.79 PDE3A (0.37) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL10768474 0.79 PDE3A (0.39) PDE3BPDE3ASMN1; SMN2MAPTKDM4E
SCHEMBL10763298 0.79 PDE3A (0.39) PDE3BPDE3ASMN1; SMN2MAPTBRD4
SCHEMBL10767881 0.79 MAPT (0.39) PDE3BPDE3ASMN1; SMN2MAPTBRD4

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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