SCHEMBL9100901

SCHEMBL9100901

C=Cc1nc2cc(C3=NCCN3c3nc4cc(C(=N)N)ccc4[nH]3)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.33
F10 P00742 3/20 0.33
F7 P08709 2/20 0.33
PRSS1 P07477 3/20 0.32
PLAU P00749 2/20 0.32
TPSAB1 Q15661 3/20 0.32
PLG P00747 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.31
TPSG1 Q9NRR2 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
SCHEMBL9103604 0.83 F10 (0.41) F2F10F7PRSS1PLAU
SCHEMBL9101801 0.80 F10 (0.47) F2F10F7PRSS1PLAU
SCHEMBL548437 0.70 F10 (0.49) F2F10F7PRSS1PLAU
SCHEMBL5329388 0.70 F10 (0.49) F2F10F7PRSS1PLAU
SCHEMBL6753172 0.66 F2 (0.48) F2F10F7PRSS1PLAU
SCHEMBL7879342 0.64 PLAU (0.65) F2F10F7PRSS1PLAU
Hydrochloric Acid SCHEMBL11298806 0.64 PLAU (0.65) F2F10F7PRSS1PLAU
SCHEMBL28476316 0.63 MAPKAPK2 (0.45) F2
SCHEMBL6879892 0.63 NISCH (0.42) F2F10F7
SCHEMBL23775704 0.62 PLAU (0.59) F2F10F7PRSS1PLAU

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
EP-0739202-A1 USE OF BIS(AMIDINOBENZIMIDAZOLES) IN THE MANUFACTURE OF MEDICAMENT FOR INHIBITING RETROVIRAL INTEGRASE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-10-30 EP disclosed
WO-1995019772-A1 USE OF BIS(AMIDINOBENZIMIDAZOLES) IN THE MANUFACTURE OF MEDICAMENT FOR INHIBITING RETROVIRAL INTEGRASE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1995-07-27 WO disclosed