SCHEMBL29140523

SCHEMBL29140523

CCCCCCOc1cccc(OCCCCCC)c1-c1cc2cc3nc(c(Br)c4ccc(cc5nc(c(Br)c1[nH]2)C=C5)[nH]4)C=C3

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 6/20 0.37
▸ PDE4A P27815 3/20 0.37
▸ PDE4B Q07343 3/20 0.37
▸ PDE4C Q08493 3/20 0.37
▸ PDE4D Q08499 3/20 0.37
▸ STAT3 P40763 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ MCHR1 Q99705 2/20 0.33
▸ IKBKB O14920 2/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ GCGR P47871 1/20 0.30
▸ MAPK14 Q16539 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
SCHEMBL29140522 0.87 IKBKB (0.32) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL28839682 0.84 STAT3 (0.34) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL30733335 0.82 STAT3 (0.47) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL29140531 0.82 PDE5A (0.43) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL14848838 0.79 STAT3 (0.44) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL14848833 0.78 STAT3 (0.45) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL30733299 0.76 PDE5A (0.40) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9425127 0.76 PDE5A (0.41) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL14841716 0.74 STAT3 (0.41) STAT3STAT1MCHR1TLR8
SCHEMBL28422362 0.74 STAT3 (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117425361-A Porphyrin passivation perovskite nano film material and preparation and application thereof 同济大学 2024-01-19 — — CN disclosed
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