SCHEMBL9710665

SCHEMBL9710665

N=C(N)c1ccc(C[C@](N)(C(=O)N2CCCC(C(=O)O)C2)S(=O)(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 10/20 0.56
▸ PRSS1 P07477 5/20 0.49
▸ F2 P00734 4/20 0.49
▸ AKR1C3 P42330 3/20 0.48
▸ PLAU P00749 3/20 0.47
▸ TMPRSS15 P98073 1/20 0.46
▸ PRSS2 P07478 1/20 0.45
▸ PRSS3 P35030 1/20 0.45
▸ PLG P00747 2/20 0.44
▸ HPN P05981 1/20 0.44

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
SCHEMBL9710463 0.91 F10 (0.59) F10PRSS1F2PLAUPRSS2
SCHEMBL9710628 0.90 F10 (0.53) F10PRSS1F2AKR1C3PLAU
Iodide SCHEMBL9710508 0.82 F10 (0.51) F10PRSS1F2PLAUTMPRSS15
Bicarbonate SCHEMBL9665131 0.80 F10 (0.57) F10PRSS1F2PLAUPLG
SCHEMBL9710459 0.79 F2 (0.47) F10PRSS1F2PLAUPRSS2
SCHEMBL8954706 0.77 F10 (0.52) F10F2PLAUPLGHPN
SCHEMBL8954856 0.75 F10 (0.50) F10PRSS1F2AKR1C3PLAU
Hydrochloric Acid SCHEMBL8954922 0.74 F10 (0.51) F10PRSS1F2PLAUPLG
SCHEMBL8955009 0.73 HTT (0.52) F10PRSS1F2PLAUPLG
SCHEMBL8954767 0.72 F10 (0.50) F10F2PLAUPLGHPN

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
WO-1992016549-A1 PARASUBSTITUTED PHENYLALANINE DERIVATES PENTAPHARM AG (CH) 1992-10-01 — — WO disclosed
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