SCHEMBL29140522

SCHEMBL29140522

CCCCCCOc1cccc(OCCCCCC)c1-c1cc2cc3nc(c(C#Cc4ccc(N)cc4)c4ccc(cc5nc(c(Br)c1[nH]2)C=C5)[nH]4)C=C3

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 3/20 0.32
▸ PDE5A O76074 2/20 0.31
▸ PDE4A P27815 2/20 0.31
▸ PDE4B Q07343 2/20 0.31
▸ PDE4C Q08493 2/20 0.31
▸ PDE4D Q08499 2/20 0.31
▸ STAT3 P40763 1/20 0.31
▸ STAT1 P42224 1/20 0.31
▸ MCHR1 Q99705 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
SCHEMBL29140520 0.88 ALDH1A1 (0.33) —
SCHEMBL29140523 0.87 PDE5A (0.37) IKBKBPDE5APDE4APDE4BPDE4C
SCHEMBL30733272 0.81 MCHR1 (0.35) IKBKBPDE5APDE4APDE4BPDE4C
SCHEMBL30733261 0.78 MCHR1 (0.38) IKBKBPDE5APDE4APDE4BPDE4C
SCHEMBL29140531 0.74 PDE5A (0.43) IKBKBPDE5APDE4APDE4BPDE4C
SCHEMBL30733335 0.74 STAT3 (0.47) IKBKBPDE5APDE4APDE4BPDE4C
SCHEMBL14848838 0.73 STAT3 (0.44) IKBKBPDE5APDE4APDE4BPDE4C
SCHEMBL28839682 0.73 STAT3 (0.34) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL30733436 0.72 TOP1 (0.39) —
SCHEMBL14848833 0.72 STAT3 (0.45) IKBKBPDE5APDE4APDE4BPDE4C

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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