SCHEMBL6880977

SCHEMBL6880977

CC(C)NC(=N)c1ccc2[nH]c(Cc3nc4cc(C(=N)NC(C)C)ccc4[nH]3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.48
TPSAB1 Q15661 3/20 0.48
F2 P00734 3/20 0.48
PRSS1 P07477 2/20 0.48
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
TPSD1 Q9BZJ3 1/20 0.47
TPSG1 Q9NRR2 1/20 0.47
F7 P08709 2/20 0.46
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL6869683 0.92 ALDH1A1 (0.41) F10TPSAB1F2PRSS1PLG
SCHEMBL9100846 0.91 DDAH1 (0.44) F10TPSAB1F2PRSS1PLG
SCHEMBL9028427 0.82 F10 (0.48) F10TPSAB1F2PRSS1PLG
SCHEMBL6879854 0.81 MAPT (0.42) ALDH1A1
SCHEMBL6879873 0.81 MAPT (0.42) ALDH1A1
Hydrochloric Acid SCHEMBL11298541 0.80 HDAC6 (0.44) PRSS1PLAUALDH1A1
SCHEMBL549168 0.78 HDAC6 (0.39) F10F2PRSS1PLGPLAU
SCHEMBL9110850 0.78 F10 (0.45) F10TPSAB1F2PRSS1PLG
SCHEMBL9113789 0.77 F10 (0.47) F10TPSAB1F2PRSS1PLG
SCHEMBL9027676 0.77 KDM4E (0.44) 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 1 patent. 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