SCHEMBL6879892

SCHEMBL6879892

C=C(c1nc2cc(C(=N)N)ccc2[nH]1)c1nc2cc(C3=NCCN3)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 3/20 0.42
F10 P00742 2/20 0.41
PRMT1 Q99873 4/20 0.40
FDPS P14324 1/20 0.36
PRMT3 O60678 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
F2 P00734 1/20 0.36
F7 P08709 1/20 0.36

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
SCHEMBL6880765 0.84 F10 (0.54) F10F2F7
SCHEMBL9023171 0.82 F10 (0.48) F10F2F7
SCHEMBL6879930 0.82 PRMT1 (0.41) NISCHF10PRMT1FDPS
SCHEMBL4314492 0.70 F10 (0.48) F10F2F7
SCHEMBL14854582 0.69 PRMT1 (0.49) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL13204584 0.69 NISCH (0.54) NISCHPRMT1
SCHEMBL9029139 0.69 NISCH (0.54) NISCHPRMT1
SCHEMBL4316759 0.69 TPSAB1 (0.48) F10F2F7
SCHEMBL9113676 0.68 NISCH (0.52) NISCHPRMT1
SCHEMBL548359 0.68 NISCH (0.52) NISCHPRMT1

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
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-B1 USE OF BIS(AMIDINOBENZIMIDAZOLES) IN THE MANUFACTURE OF MEDICAMENT FOR INHIBITING RETROVIRAL INTEGRASE UNIV NORTH CAROLINA (US) 1998-12-16 EP disclosed