SCHEMBL31460485

SCHEMBL31460485

N=C(N)Nc1ccc(C(=O)Oc2ccc3c(c2)C(=O)OCC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 1/20 0.47
▸ GRM5 P41594 1/20 0.45
▸ KMT2A Q03164 6/20 0.41
▸ MAPT P10636 5/20 0.41
▸ MEN1 O00255 5/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PPIA P62937 1/20 0.39
▸ PRSS1 P07477 3/20 0.38
▸ F12 P00748 2/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ ACR P10323 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAOA P21397 2/20 0.37
▸ MAOB P27338 1/20 0.37
▸ RXFP1 Q9HBX9 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
SCHEMBL31460195 0.91 GRM5 (0.47) MMP9GRM5KMT2AMAPTMEN1
SCHEMBL16995901 0.85 GRM5 (0.47) GRM5KMT2AMAPTMEN1HSD17B10
Hydrochloric Acid SCHEMBL31460229 0.83 MAPT (0.47) KMT2AMAPTMEN1HSD17B10PPIA
SCHEMBL31460375 0.82 PRSS1 (0.44) KMT2AMAPTMEN1PRSS1F12
Hydrochloric Acid SCHEMBL31460337 0.78 PLAU (0.51) KMT2AMAPTMEN1PRSS1F12
Hydrochloric Acid SCHEMBL31460358 0.78 PLAU (0.48) KMT2AMAPTMEN1PRSS1F12
Hydrochloric Acid SCHEMBL31460351 0.78 MAPK14 (0.41) GRM5KMT2AMAPTMEN1HSD17B10
SCHEMBL10956570 0.77 KMT2A (0.56) KMT2AMAPTMEN1HSD17B10PRSS1
Hydrochloric Acid SCHEMBL31460428 0.76 BAZ2B (0.47) GRM5PRSS1F12PRSS2PRSS3
Hydrochloric Acid SCHEMBL31460357 0.76 CRBN (0.47) KMT2AMEN1PRSS1F12PRSS2

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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