SCHEMBL9425127

SCHEMBL9425127

CCCCCCCCCCCCOc1cccc(-c2c3nc(c(-c4cccc(OCCCCCCCCCCCC)c4OCCCCCCCCCCCC)c4ccc(cc5nc(cc6ccc2[nH]6)C=C5)[nH]4)C=C3)c1OCCCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 6/20 0.41
▸ PDE4A P27815 4/20 0.41
▸ PDE4B Q07343 4/20 0.41
▸ PDE4C Q08493 4/20 0.41
▸ PDE4D Q08499 4/20 0.41
▸ STAT3 P40763 1/20 0.40
▸ STAT1 P42224 1/20 0.40
▸ MCHR1 Q99705 2/20 0.35
▸ GCGR P47871 2/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ TLR8 Q9NR97 2/20 0.33
▸ TSHR P16473 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL7860935 0.88 STAT3 (0.40) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7867501 0.88 STAT3 (0.40) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9425136 0.88 PDE5A (0.44) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL30733335 0.86 STAT3 (0.47) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL14848838 0.82 STAT3 (0.44) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL14848833 0.81 STAT3 (0.45) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL29140531 0.79 PDE5A (0.43) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL1308810 0.79 PDE5A (0.54) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL15282931 0.79 STAT3 (0.44) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL29140523 0.76 PDE5A (0.37) PDE5APDE4APDE4BPDE4CPDE4D

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
JP-6263762-A — — None — — JP disclosed
JP-H06263762-A PHYNYLPORPHYRIN COMPOUND YAMAMOTO IWAO 1994-09-20 — — JP disclosed
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