SCHEMBL31460423

SCHEMBL31460423

N=C(N)Nc1ccc(C(=O)Oc2ccc3c(c2)CCNC3=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 4/20 0.44
▸ F12 P00748 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ KLKB1 P03952 3/20 0.43
▸ F2 P00734 2/20 0.43
▸ C1R P00736 1/20 0.43
▸ F10 P00742 1/20 0.43
▸ KLK1 P06870 1/20 0.43
▸ PRKACA P17612 1/20 0.40
▸ PRKACG P22612 1/20 0.40
▸ PRKACB P22694 1/20 0.40
▸ PARP10 Q53GL7 4/20 0.40
▸ PARP11 Q9NR21 4/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ KLK5 Q9Y337 1/20 0.37
▸ ACR P10323 1/20 0.37
▸ PLG P00747 1/20 0.36
▸ PLAU P00749 1/20 0.36

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
SCHEMBL31460375 0.92 PRSS1 (0.44) PRSS1F12PRSS2PRSS3KLKB1
SCHEMBL31460459 0.89 PRSS1 (0.43) PRSS1F12PRSS2PRSS3KLKB1
Hydrochloric Acid SCHEMBL31460396 0.86 PARP10 (0.40) PRSS1F12PRSS2PRSS3KLKB1
Hydrochloric Acid SCHEMBL31460351 0.84 MAPK14 (0.41) PRSS1F12PRSS2PRSS3KLKB1
Hydrochloric Acid SCHEMBL31460428 0.82 BAZ2B (0.47) PRSS1F12PRSS2PRSS3ACR
SCHEMBL31460195 0.82 GRM5 (0.47) PRSS1F12PRSS2PRSS3KLKB1
SCHEMBL29261554 0.80 PARP10 (0.53) PARP10PARP11GSK3BMEN1KMT2A
Hydrochloric Acid SCHEMBL31460490 0.79 KMT2A (0.50) PRSS1F12PRSS2PRSS3GSK3B
Hydrochloric Acid SCHEMBL31460337 0.78 PLAU (0.51) PRSS1F12PRSS2PRSS3ACR
Hydrochloric Acid SCHEMBL31460358 0.78 PLAU (0.48) PRSS1F12PRSS2PRSS3ACR

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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