SCHEMBL7364895

SCHEMBL7364895

N=C(N)c1cccc(C(CC(=O)O)OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.54
F2 P00734 12/20 0.48
PRSS1 P07477 9/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PLAU P00749 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL7458383 0.88 F10 (0.55) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL8347404 0.83 F2 (0.55) F10F2PRSS1PRSS2PRSS3
SCHEMBL7359507 0.82 F10 (0.57) F10F2PRSS1
SCHEMBL4466281 0.81 FFAR1 (0.53) KMT2ASMN1; SMN2
SCHEMBL7360591 0.79 F10 (0.67) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL7460186 0.77 F10 (0.51) F10F2PRSS1
Benzamidine SCHEMBL7366537 0.73 F10 (0.67) F10F2PRSS1
SCHEMBL1161918 0.70 ANPEP (0.55) F10F2PRSS1PRSS2PRSS3
Methyl Benzoate SCHEMBL7359033 0.70 F10 (0.61) F10F2PRSS1
SCHEMBL27427478 0.70 CHRNB2 (0.48) KMT2ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed