SCHEMBL29110625

SCHEMBL29110625

O=C1C=CC(=O)N1c1cccc2nc[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 2/20 0.47
▸ MGLL Q99685 10/20 0.44
▸ PARP1 P09874 4/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40
▸ FAAH O00519 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ CCR6 P51684 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ATAD2 Q6PL18 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL29110624 0.73 TLR9 (0.47) TLR9MGLLPARP1FAAH
SCHEMBL3289568 0.70 HTR2A (0.50) ALDH1A1
SCHEMBL28840823 0.69 TLR9 (0.50) TLR9MGLLPDPK1FAAH
SCHEMBL29117062 0.69 ALDH1A1 (0.40) ALOX15SMN1; SMN2ALDH1A1
SCHEMBL1651016 0.69 PARP1 (0.53) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL196912 0.68 PARP1 (0.42) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL121404 0.66 TLR9 (1.00) TLR9MGLLFAAHALDH1A1HSP90AA1
SCHEMBL29377102 0.66 TLR9 (1.00) TLR9MGLLFAAHALDH1A1HSP90AA1
SCHEMBL3232202 0.66 PARP1 (0.41) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL1537943 0.66 NCF1 (0.48) ALDH1A1

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-115685673-A Photosensitive composition, optical filter, image display device, and solid-state imaging element 东洋油墨SC控股株式会社 2023-02-03 — — CN disclosed
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