Sugi Predict

Sugi Predict / Compounds / SCHEMBL14132008

SCHEMBL14132008

SCHEMBL14132008

N=C(N)c1cccc(OC[C@@H](CC(=O)O)NC(=O)c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.88

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 19/20 0.88
▸ PRSS1 P07477 11/20 0.51
▸ F2 P00734 9/20 0.51
▸ PRSS2 P07478 6/20 0.49
▸ PRSS3 P35030 6/20 0.49
▸ PLG P00747 2/20 0.47
▸ C1S P09871 1/20 0.47
▸ PROC P04070 1/20 0.47
▸ KLK1 P06870 1/20 0.47

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 SCHEMBL3901863 0.94 F10 (0.78) F10PRSS1F2PRSS2PRSS3
SCHEMBL3899344 0.94 F10 (1.00) F10PRSS1F2PRSS2PRSS3
SCHEMBL3898935 0.94 F10 (1.00) F10PRSS1F2PRSS2PRSS3
SCHEMBL14131786 0.92 F10 (0.92) F10PRSS1F2PRSS2PRSS3
SCHEMBL14132295 0.88 F10 (0.69) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL3897204 0.88 F10 (0.88) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL3902118 0.88 F10 (0.88) F10PRSS1F2PRSS2PRSS3
SCHEMBL14132186 0.88 F10 (0.84) F10PRSS1
SCHEMBL3900124 0.87 F10 (0.83) F10PRSS1F2PRSS2PRSS3
SCHEMBL14131785 0.87 F10 (0.83) F10PRSS1F2PRSS2PRSS3

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
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 — — US disclosed