SCHEMBL9103604

SCHEMBL9103604

CCc1nc2cc(C3=NCCN3c3nc4cc(C(=N)N)ccc4[nH]3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.41
TPSAB1 Q15661 3/20 0.41
PRSS1 P07477 2/20 0.41
F2 P00734 2/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
F7 P08709 1/20 0.40
KLK1 P06870 1/20 0.37
KLK5 Q9Y337 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
SCHEMBL9100901 0.83 F2 (0.33) F10TPSAB1PRSS1F2PLG
SCHEMBL27659971 0.80 F10 (0.60) F10TPSAB1PRSS1F2PLG
SCHEMBL27639305 0.71 F10 (0.57) F10TPSAB1PRSS1F2PLG
SCHEMBL27659973 0.71 F10 (0.78) F10TPSAB1PRSS1F2PLG
SCHEMBL548419 0.70 F10 (0.63) F10TPSAB1PRSS1F2PLG
SCHEMBL65730 0.70 F10 (0.77) F10TPSAB1PRSS1F2PLG
SCHEMBL6880765 0.70 F10 (0.54) F10TPSAB1PRSS1F2PLG
SCHEMBL4322200 0.69 TPSAB1 (0.78) F10TPSAB1PRSS1F2PLG
SCHEMBL9043744 0.69 TOP2A (0.48) F10
SCHEMBL548407 0.68 F10 (0.60) F10TPSAB1PRSS1F2PLG

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