SCHEMBL7405396

SCHEMBL7405396

N=C(N)c1ccc2[nH]c(Cc3nc4cc(CNS(=O)(=O)c5cccc(C(=O)O)c5)ccc4[nH]3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.50
TMPRSS6 Q8IU80 3/20 0.47
F10 P00742 3/20 0.45
F7 P08709 1/20 0.45
TPSAB1 Q15661 3/20 0.44
PRSS1 P07477 3/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTPN1 P18031 4/20 0.42
PTPN6 P29350 4/20 0.42
PTPN11 Q06124 4/20 0.42

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
SCHEMBL7406306 0.91 F2 (0.51) F2F10F7TPSAB1PRSS1
SCHEMBL7503638 0.91 F2 (0.59) F2F10F7TPSAB1PRSS1
SCHEMBL7403269 0.86 F2 (0.52) F2F10F7TPSAB1PRSS1
SCHEMBL7409384 0.85 F10 (0.53) F2F10F7TPSAB1PRSS1
SCHEMBL7401825 0.82 F10 (0.49) F2F10F7TPSAB1PRSS1
SCHEMBL7409221 0.81 F10 (0.66) F2F10F7TPSAB1PRSS1
SCHEMBL7405379 0.80 F10 (0.54) F2F10F7TPSAB1PRSS1
SCHEMBL7407083 0.80 IDO1 (0.50) F2F10F7TPSAB1PRSS1
SCHEMBL7405393 0.79 F2 (0.48) F2F10F7TPSAB1PRSS1
SCHEMBL7409890 0.79 F10 (0.50) F2F10F7TPSAB1PRSS1

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
WO-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed