SCHEMBL9251004

SCHEMBL9251004

COc1cc(C(=N)N)ccc1-c1ccc(-n2cnc(CCC(=O)O)c2)nn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.37
PLAU P00749 1/20 0.35
F10 P00742 4/20 0.33
F2 P00734 2/20 0.33
CSNK2A1 P68400 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
ITGB3 P05106 3/20 0.32
ITGA2B P08514 3/20 0.32
TMPRSS15 P98073 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32

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
SCHEMBL9258452 0.92 PRSS1 (0.36) PRSS1PLAUF10F2CSNK2A1
SCHEMBL9257720 0.89 ITGB3 (0.33) PRSS1F10F2ITGB3ITGA2B
SCHEMBL9256872 0.87 TMPRSS15 (0.35) PRSS1F10F2ITGB3ITGA2B
SCHEMBL9254271 0.83 SYK (0.33) PRSS1F10F2TMPRSS15
SCHEMBL9568440 0.83 ITGB3 (0.39) PRSS1F10F2ITGB3ITGA2B
SCHEMBL9252815 0.82 TMPRSS15 (0.39) PRSS1F10F2TMPRSS15
SCHEMBL9251805 0.81 PDK1 (0.33)
SCHEMBL9259497 0.78 KDM5A (0.35) PRSS1F10F2TMPRSS15
SCHEMBL8863938 0.77 TMPRSS15 (0.36) PRSS1F10F2NPC1RAB9A
SCHEMBL9253978 0.77 ITGB3 (0.37) PRSS1F10F2ITGB3ITGA2B

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
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed