SCHEMBL9028459

SCHEMBL9028459

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.55
TPSAB1 Q15661 3/20 0.55
PRSS1 P07477 2/20 0.55
F2 P00734 2/20 0.55
PLG P00747 1/20 0.55
PLAU P00749 1/20 0.55
PRSS2 P07478 1/20 0.55
PRSS3 P35030 1/20 0.55
TPSD1 Q9BZJ3 1/20 0.54
TPSG1 Q9NRR2 1/20 0.54
F7 P08709 1/20 0.52
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
CHEK2 O96017 5/20 0.44
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL7406681 0.93 F10 (0.68) F10TPSAB1PRSS1F2PLG
SCHEMBL22533832 0.88 MMP2 (0.50) F10TPSAB1PRSS1F2PLG
SCHEMBL9569971 0.86 APEX1 (0.45) F10TPSAB1PRSS1F2PLG
SCHEMBL9598107 0.86 APEX1 (0.45) F10TPSAB1PRSS1F2PLG
SCHEMBL65730 0.84 F10 (0.77) F10TPSAB1PRSS1F2PLG
SCHEMBL7409221 0.83 F10 (0.66) F10TPSAB1PRSS1F2PLG
SCHEMBL4322200 0.83 TPSAB1 (0.78) F10TPSAB1PRSS1F2PLG
SCHEMBL7050481 0.82 HDAC6 (0.59) CHEK2
SCHEMBL22931148 0.81 CHEK2 (0.56) F10MMP2MMP13CHEK2
SCHEMBL22121440 0.80 FABP6 (0.51) PLAUMMP2MMP13CHEK2PKN1

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
EP-0720603-A1 BIS(AMIDINOBENZIMIDAZOLYL)ALKANES AS ANTIVIRAL AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1996-07-10 EP disclosed