SCHEMBL31460195

SCHEMBL31460195

N=C(N)Nc1ccc(C(=O)Oc2ccc3c(c2)CCOC3=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.47
▸ MAPT P10636 7/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ PRSS1 P07477 3/20 0.38
▸ F12 P00748 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ ACR P10323 1/20 0.38
▸ PTGES O14684 2/20 0.38
▸ F2 P00734 1/20 0.38
▸ C1R P00736 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
SCHEMBL31460485 0.91 MMP9 (0.47) GRM5MAPTKMT2AMEN1HSD17B10
Hydrochloric Acid SCHEMBL31460229 0.89 MAPT (0.47) MAPTKMT2AMEN1HSD17B10GAA
Hydrochloric Acid SCHEMBL31460351 0.84 MAPK14 (0.41) GRM5MAPTKMT2AMEN1HSD17B10
SCHEMBL16995901 0.83 GRM5 (0.47) GRM5MAPTKMT2AMEN1HSD17B10
Hydrochloric Acid SCHEMBL31460428 0.83 BAZ2B (0.47) GRM5MAOAMAOBPRSS1F12
SCHEMBL31460423 0.82 PRSS1 (0.44) GRM5KMT2AMEN1PRSS1F12
SCHEMBL31460459 0.79 PRSS1 (0.43) MAPTKMT2AMEN1MAOAPRSS1
Hydrochloric Acid SCHEMBL31460358 0.78 PLAU (0.48) MAPTKMT2AMEN1CA12CA1
Hydrochloric Acid SCHEMBL31460337 0.78 PLAU (0.51) MAPTKMT2AMEN1CA12CA1
SCHEMBL10956570 0.77 KMT2A (0.56) MAPTKMT2AMEN1HSD17B10PRSS1

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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