SCHEMBL31460459

SCHEMBL31460459

N=C(N)Nc1ccc(C(=O)Oc2ccc3c(c2)CNC3=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 4/20 0.43
▸ F12 P00748 2/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ PRF1 P14222 1/20 0.42
▸ F2 P00734 2/20 0.42
▸ C1R P00736 2/20 0.42
▸ F10 P00742 2/20 0.42
▸ KLK1 P06870 2/20 0.42
▸ KLKB1 P03952 1/20 0.42
▸ SMYD3 Q9H7B4 1/20 0.42
▸ MKNK1 Q9BUB5 3/20 0.39
▸ EIF4E P06730 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ ACR P10323 1/20 0.38

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 0.89 PRSS1 (0.44) PRSS1F12PRSS2PRSS3F2
SCHEMBL31460375 0.83 PRSS1 (0.44) PRSS1F12PRSS2PRSS3F2
Hydrochloric Acid SCHEMBL31460383 0.81 TMPRSS15 (0.35) PRSS1F12PRSS2PRSS3PRF1
Hydrochloric Acid SCHEMBL31460351 0.81 MAPK14 (0.41) PRSS1F12PRSS2PRSS3F2
Hydrochloric Acid SCHEMBL31460490 0.81 KMT2A (0.50) PRSS1F12PRSS2PRSS3ACR
Hydrochloric Acid SCHEMBL31460428 0.79 BAZ2B (0.47) PRSS1F12PRSS2PRSS3ACR
Hydrochloric Acid SCHEMBL31460229 0.79 MAPT (0.47) PRF1KMT2AMEN1MAPTALDH1A1
SCHEMBL31460195 0.79 GRM5 (0.47) PRSS1F12PRSS2PRSS3F2
SCHEMBL10956570 0.78 KMT2A (0.56) PRSS1PRSS2PRSS3F2ACR
Hydrochloric Acid SCHEMBL31460358 0.77 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
Send feedback