SCHEMBL31460375

SCHEMBL31460375

N=C(N)Nc1ccc(C(=O)Oc2ccc3c(c2)C(=O)NCC3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 5/20 0.44
▸ F12 P00748 2/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ PARP1 P09874 5/20 0.42
▸ PARP10 Q53GL7 5/20 0.42
▸ F7 P08709 1/20 0.42
▸ F3 P13726 1/20 0.42
▸ KLKB1 P03952 5/20 0.41
▸ F2 P00734 3/20 0.41
▸ C1R P00736 2/20 0.41
▸ F10 P00742 2/20 0.41
▸ KLK1 P06870 2/20 0.41
▸ F11 P03951 3/20 0.40
▸ PLG P00747 2/20 0.39
▸ PLAU P00749 2/20 0.39
▸ PLAT P00750 1/20 0.39
▸ MAPKAPK2 P49137 1/20 0.37
▸ KLK5 Q9Y337 1/20 0.37
▸ ACR P10323 1/20 0.37

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
SCHEMBL31460423 0.92 PRSS1 (0.44) PRSS1F12PRSS2PRSS3PARP10
SCHEMBL31460459 0.83 PRSS1 (0.43) PRSS1F12PRSS2PRSS3KLKB1
SCHEMBL31460485 0.82 MMP9 (0.47) PRSS1F12PRSS2PRSS3F2
SCHEMBL28724678 0.80 PARP10 (0.53) PARP1PARP10F7F3MAPKAPK2
Hydrochloric Acid SCHEMBL31460490 0.79 KMT2A (0.50) PRSS1F12PRSS2PRSS3ACR
Hydrochloric Acid SCHEMBL31460396 0.78 PARP10 (0.40) PRSS1F12PRSS2PRSS3PARP10
Hydrochloric Acid SCHEMBL31460337 0.78 PLAU (0.51) PRSS1F12PRSS2PRSS3PLAU
Hydrochloric Acid SCHEMBL31460358 0.78 PLAU (0.48) PRSS1F12PRSS2PRSS3PLAU
Hydrochloric Acid SCHEMBL31460357 0.77 CRBN (0.47) PRSS1F12PRSS2PRSS3ACR
Hydrochloric Acid SCHEMBL31460351 0.77 MAPK14 (0.41) PRSS1F12PRSS2PRSS3KLKB1

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-119371391-A Aroyl compound and preparation method and application thereof 河北医科大学 2025-01-28 — — CN disclosed
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