SCHEMBL6880765

SCHEMBL6880765

N=C(N)c1ccc2[nH]c(Cc3nc4cc(C5=NCCN5)ccc4[nH]3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.54
TPSAB1 Q15661 3/20 0.54
F2 P00734 3/20 0.54
PRSS1 P07477 2/20 0.54
PLG P00747 1/20 0.54
PLAU P00749 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
TPSD1 Q9BZJ3 1/20 0.53
TPSG1 Q9NRR2 1/20 0.53
F7 P08709 2/20 0.52

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
SCHEMBL9029139 0.87 NISCH (0.54)
SCHEMBL6879892 0.84 NISCH (0.42) F10F2F7
SCHEMBL6879930 0.83 PRMT1 (0.41) F10
SCHEMBL65730 0.82 F10 (0.77) F10TPSAB1F2PRSS1PLG
SCHEMBL4322200 0.81 TPSAB1 (0.78) F10TPSAB1F2PRSS1PLG
SCHEMBL9040777 0.80 NISCH (0.47)
SCHEMBL9111634 0.79 NISCH (0.48)
SCHEMBL14259704 0.77 PRMT1 (0.53)
SCHEMBL6163820 0.76 F10 (0.85) F10TPSAB1F2PRSS1PLG
SCHEMBL7406105 0.76 F10 (0.68) F10TPSAB1F2PRSS1PLG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6815461-B1 ADMINISTERING BIS-BENZIMIDAZOLE COMPOUND; TREATING HUMAN IMMUNODEFICIENCY VIRUS (HIV) INFECTION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2004-11-09 US disclosed
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