SCHEMBL29834821

SCHEMBL29834821

C1=Cc2cc3cc(-c4ncc[nH]4)c(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.36
▸ NISCH Q9Y2I1 2/20 0.34
▸ MTOR P42345 1/20 0.34
▸ ADK P55263 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ ADRA2A P08913 3/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ TYRO3 Q06418 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33
▸ ADRA2B P18089 2/20 0.31
▸ ADRA2C P18825 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL2955029 1.00 IDO1 (0.36) IDO1NISCHMTORADKSTAT3
SCHEMBL2962139 0.99 IDO1 (0.35) IDO1NISCHMTORADKSTAT3
SCHEMBL2963034 0.82 NISCH (0.36) IDO1NISCHMTORADKSTAT3
SCHEMBL2955031 0.79 STAT3 (0.52) IDO1NISCHMTORADKSTAT3
SCHEMBL31229735 0.78 STAT3 (0.38) STAT3STAT1
SCHEMBL31229595 0.78 STAT3 (0.38) STAT3STAT1
SCHEMBL27596454 0.78 STAT3 (0.38) IDO1STAT3STAT1
SCHEMBL2963039 0.77 STAT3 (0.50) IDO1NISCHMTORADKSTAT3
SCHEMBL5470465 0.76 STAT3 (0.38) IDO1STAT3STAT1ALDH1A1
SCHEMBL460723 0.75 NPC1 (0.41) MTORSTAT3STAT1KMT2A

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-113912845-B Porphyrin imidazole porous organic polymer, preparation method thereof and application thereof in proton conduction material 山东大学 2022-09-27 — — CN claimed
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