SCHEMBL9101801

SCHEMBL9101801

C=Cc1nc2cc(C(=N)N)ccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.47
F2 P00734 4/20 0.47
F7 P08709 2/20 0.47
TPSAB1 Q15661 3/20 0.46
PRSS1 P07477 3/20 0.46
PLAU P00749 2/20 0.46
PLG P00747 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44

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
SCHEMBL548437 0.88 F10 (0.49) F10F2F7TPSAB1PRSS1
SCHEMBL5329388 0.88 F10 (0.49) F10F2F7TPSAB1PRSS1
SCHEMBL9100901 0.80 F2 (0.33) F10F2F7TPSAB1PRSS1
Hydrochloric Acid SCHEMBL29202497 0.78 F2 (0.68) F10F2F7TPSAB1PRSS1
SCHEMBL6680675 0.78 F2 (0.51) F10F2F7TPSAB1PRSS1
SCHEMBL9023171 0.77 F10 (0.48) F10F2F7TPSAB1PRSS1
SCHEMBL5237850 0.76 F10 (0.51) F10F2F7TPSAB1PRSS1
SCHEMBL6165236 0.76 PLAU (0.40) F10F2F7TPSAB1PRSS1
SCHEMBL5329624 0.76 F10 (0.50) F10F2F7TPSAB1PRSS1
SCHEMBL28476316 0.76 MAPKAPK2 (0.45) F2

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 claimed
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 claimed