Sugi Predict

Sugi Predict / Compounds / SCHEMBL20568633

SCHEMBL20568633

SCHEMBL20568633

NC[C@H]1CC[C@H](C(=O)NC(Cc2ccccc2)c2nc(-c3ccc4c(N)n[nH]c4c3)c(Cl)[nH]2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 20/20 1.00
▸ KLKB1 P03952 9/20 1.00
▸ PRSS1 P07477 5/20 1.00
▸ PRSS2 P07478 5/20 1.00
▸ PRSS3 P35030 5/20 1.00
▸ F7 P08709 3/20 1.00
▸ F10 P00742 2/20 1.00
▸ F12 P00748 2/20 1.00
▸ PLG P00747 1/20 1.00
▸ KLK1 P06870 1/20 1.00

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
SCHEMBL393169 1.00 F11 (1.00) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL18894371 1.00 F11 (1.00) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL393168 1.00 F11 (1.00) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL5103227 0.92 F11 (0.84) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL5103218 0.92 F11 (0.84) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL394126 0.91 F11 (0.83) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL6409899 0.91 F11 (0.83) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL394125 0.91 F11 (0.83) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL6409901 0.91 F11 (0.83) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL393954 0.90 F11 (0.82) F11KLKB1PRSS1PRSS2PRSS3

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-20180340163-A1 RECOMBINANT SERINE PROTEASES ACADEMISCH ZIEKENHUIS LEIDEN (NL) 2018-11-29 — — US disclosed