SCHEMBL22143974

SCHEMBL22143974

CO/C(NSF)=C(/C(C)=N)c1ccc(N)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 2/20 0.35
▸ MASP2 O00187 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ F2 P00734 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ CYP19A1 P11511 2/20 0.33
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 1/20 0.30

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
SCHEMBL25527631 0.69 PLAU (0.54) PLAUMASP2THPOF2PRSS1
SCHEMBL18773359 0.65 PLAU (0.52) PLAUMASP2THPOF2PRSS1
SCHEMBL25528016 0.64 IDO1 (0.39) PLAUMASP2THPOF2PRSS1
SCHEMBL18480045 0.61 PLAU (0.59) PLAUMASP2THPOF2PRSS1
SCHEMBL11839172 0.58 PLAU (0.54) PLAUMASP2THPOF2PRSS1
SCHEMBL21938896 0.58 PLAU (0.48) PLAUMASP2THPOF2PRSS1
SCHEMBL7062605 0.58 PLAU (0.43) PLAUMASP2THPOF2PRSS1
SCHEMBL8368541 0.57 CYP19A1 (0.43) PLAUMASP2THPOF2PRSS1
SCHEMBL15653055 0.57 PLAU (0.52) PLAUMASP2THPOF2PRSS1
SCHEMBL42732 0.57 CA1 (0.64) —

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-2020127685-A1 AMINO-ACID ANILIDES AS SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2020-06-25 — — WO disclosed
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