SCHEMBL8420346

SCHEMBL8420346

CC(=O)NCc1cc(-n2c(C)c(Cl)nc(NCc3ccccc3)c2=O)c(N)nc1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 6/20 0.48
▸ PRSS1 P07477 3/20 0.48
▸ TPSAB1 Q15661 7/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ F7 P08709 2/20 0.41
▸ F3 P13726 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PLAU P00749 2/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ SETDB1 Q15047 1/20 0.37

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
SCHEMBL7816992 0.84 F2 (0.41) F2PRSS1F7F3PRSS2
SCHEMBL7817575 0.76 F2 (0.61) F2PRSS1PRSS2PRSS3
SCHEMBL7405928 0.76 F2 (0.61) F2PRSS1PRSS2PRSS3
SCHEMBL8418959 0.76 F2 (0.61) F2PRSS1PRSS2PRSS3
SCHEMBL7817431 0.76 F2 (0.61) F2PRSS1PRSS2PRSS3
SCHEMBL8420322 0.74 F2 (0.61) F2PRSS1MAPK1PRSS2PRSS3
SCHEMBL7818207 0.74 F2 (0.47) F2PRSS1PRSS2PRSS3L3MBTL1
SCHEMBL7505080 0.74 F2 (0.61) F2PRSS1PRSS2PRSS3
SCHEMBL7404488 0.74 F2 (0.61) F2PRSS1MAPK1PRSS2PRSS3
SCHEMBL7819971 0.73 F2 (0.44) F2PRSS1PRSS2PRSS3

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-5866573-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 1999-02-02 — — US disclosed
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