SCHEMBL7972008

SCHEMBL7972008

N=C(N)c1ccc(C(=O)NCc2ccc(OCCCOc3ccc(CNC(=O)c4cccc(C(=N)N)c4)cc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.62
LOX P28300 1/20 0.56
LOXL2 Q9Y4K0 1/20 0.56
KLKB1 P03952 4/20 0.55
TMPRSS2 O15393 1/20 0.54
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
PRSS1 P07477 6/20 0.52
F2 P00734 2/20 0.52
PLG P00747 1/20 0.52
PRSS2 P07478 1/20 0.52
C1S P09871 1/20 0.52
PRSS3 P35030 1/20 0.52
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TPSAB1 Q15661 1/20 0.51
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL7972021 0.96 F10 (0.56) F10LOXLOXL2KLKB1PRSS1
SCHEMBL7392566 0.94 F10 (0.56) F10LOXLOXL2KLKB1PRSS1
SCHEMBL7425136 0.93 PRSS1 (0.57) F10LOXLOXL2PRSS1F2
SCHEMBL7986197 0.93 PRSS1 (0.57) F10LOXLOXL2PRSS1F2
SCHEMBL7989809 0.93 PRSS1 (0.57) F10LOXLOXL2PRSS1F2
SCHEMBL7983619 0.93 F10 (0.57) F10LOXLOXL2KLKB1PRSS1
SCHEMBL7982578 0.92 TMPRSS2 (0.64) F10TMPRSS2ITGB3ITGA2BPRSS1
Hydrochloric Acid SCHEMBL5092926 0.90 LOX (0.55) F10LOXLOXL2KLKB1PRSS1
SCHEMBL7972474 0.89 TMPRSS2 (0.57) F10LOXLOXL2TMPRSS2ITGB3
SCHEMBL7419632 0.89 PRSS1 (0.64) F10TMPRSS2ITGB3ITGA2BPRSS1

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-6221914-B1 ANTIINFLAMMATORY AGENTS ARRAY BIOPHARMA INC. 2001-04-24 US disclosed