SCHEMBL9253457

SCHEMBL9253457

N=C(N)c1ccc(-c2ccc(-c3nnc(CCC(=O)OCOC(=O)OC4CCCCC4)s3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.41
TPSAB1 Q15661 8/20 0.41
TPSD1 Q9BZJ3 8/20 0.41
TPSG1 Q9NRR2 8/20 0.41
F2 P00734 8/20 0.41
PLG P00747 3/20 0.41
PRSS2 P07478 5/20 0.37
PRSS3 P35030 5/20 0.37
MAPK1 P28482 1/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
PDE4D Q08499 1/20 0.32
PDE7A Q13946 1/20 0.32
CYP19A1 P11511 2/20 0.32
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
FURIN P09958 1/20 0.31

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
SCHEMBL9254764 0.83 EPHX1 (0.38) MAPK1ALDH1A1LMNARAB9A
SCHEMBL9247290 0.79 TMPRSS15 (0.35) F2ITGB3ITGA2BALDH1A1RAB9A
SCHEMBL9254531 0.77 TMPRSS15 (0.43) PRSS1F2MAPTITGB3ITGA2B
SCHEMBL9257176 0.74 CSNK2A2 (0.43) PRSS1F2ITGB3ITGA2BF10
SCHEMBL9257438 0.74 ITGB3 (0.46) PRSS1F2PLGPRSS2PRSS3
SCHEMBL9250531 0.72 F2 (0.35) PRSS1TPSAB1TPSD1TPSG1F2
SCHEMBL9254086 0.72 F2 (0.39) PRSS1F2PRSS2PRSS3ITGB3
SCHEMBL9255636 0.67 TMPRSS15 (0.39) PRSS1F2ITGB3ITGA2BALDH1A1
SCHEMBL9250922 0.67 AHR (0.39) ALDH1A1
SCHEMBL9253124 0.66 F2 (0.45) PRSS1F2ITGB3ITGA2BF10

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