SCHEMBL10760896

SCHEMBL10760896

CSc1ccc(C=CC2=NNC(=O)CC2C)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 8/20 0.45
▸ PDE3A Q14432 8/20 0.45
▸ GPR119 Q8TDV5 8/20 0.37
▸ F10 P00742 1/20 0.35
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ DAPK3 O43293 1/20 0.33
▸ DYRK3 O43781 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ GSK3A P49840 1/20 0.33

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
SCHEMBL10765360 0.84 PDE3A (0.45) PDE3BPDE3AGPR119CYP1A1CYP1A2
SCHEMBL10764480 0.82 PDE3A (0.47) PDE3BPDE3AGPR119CYP1A1CYP1A2
SCHEMBL10759920 0.81 PDE3B (0.44) PDE3BPDE3AGPR119F10PDE4A
SCHEMBL10764989 0.81 PDE3B (0.44) PDE3BPDE3AGPR119F10PDE4A
SCHEMBL10761240 0.80 PDE3B (0.62) PDE3BPDE3ACYP1A1CYP1A2CYP1B1
SCHEMBL10766164 0.79 PDE3B (0.52) PDE3BPDE3ACYP1A1CYP1A2CYP1B1
SCHEMBL10760321 0.76 PDE3A (0.48) PDE3BPDE3AGPR119PDE4BPBRM1
SCHEMBL10763860 0.75 PDE3B (0.44) PDE3BPDE3AGPR119CYP1A1CYP1A2
SCHEMBL10763163 0.73 PDE3B (0.43) PDE3BPDE3AGPR119CYP1A1CYP1A2
SCHEMBL10765163 0.72 PDE3B (0.65) PDE3BPDE3AGPR119PDE4APDE4B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0210530-A1 6-Arylalkenyl pyridazinones MERCK PATENT GmbH (DE) 1987-02-04 — — EP claimed
EP-0210530-A1 6-Arylalkenyl pyridazinones MERCK PATENT GmbH (DE) 1987-02-04 — — EP disclosed
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