SCHEMBL9040720

SCHEMBL9040720

NC(=NC1CCCC1)c1ccc2[nH]c(Cc3nc4cc(C(N)=NC5CCCC5)ccc4[nH]3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.45
TPSAB1 Q15661 3/20 0.45
PRSS1 P07477 2/20 0.45
F2 P00734 2/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
KDM4E B2RXH2 1/20 0.44
F7 P08709 1/20 0.43

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
SCHEMBL9112360 0.99 KDM4E (0.46) F10TPSAB1PRSS1F2PLG
SCHEMBL9236738 0.99 KDM4E (0.46) F10TPSAB1PRSS1F2PLG
SCHEMBL9113833 0.95 F10 (0.47) F10TPSAB1PRSS1F2PLG
SCHEMBL9029120 0.80 F10 (0.42) F10TPSAB1PRSS1F2PLG
SCHEMBL9023629 0.78 F10 (0.50) F10TPSAB1PRSS1F2PLG
SCHEMBL65730 0.74 F10 (0.77) F10TPSAB1PRSS1F2PLG
SCHEMBL9028459 0.74 F10 (0.55) F10TPSAB1PRSS1F2PLG
SCHEMBL9112515 0.73 F10 (0.46) F10TPSAB1PRSS1F2PLG
SCHEMBL4322200 0.73 TPSAB1 (0.78) F10TPSAB1PRSS1F2PLG
SCHEMBL9110850 0.72 F10 (0.45) 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-0720603-A1 BIS(AMIDINOBENZIMIDAZOLYL)ALKANES AS ANTIVIRAL AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1996-07-10 EP disclosed
WO-1995008540-A1 BIS(AMIDINOBENZIMIDAZOLYL)ALKANES AS ANTIVIRAL AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1995-03-30 WO disclosed