SCHEMBL7400426

SCHEMBL7400426

N=C(N)c1ccc2[nH]c(Cc3nc4c(OCc5ccc6c(c5)OCO6)cc(F)cc4[nH]3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.55
TPSAB1 Q15661 3/20 0.41
F2 P00734 3/20 0.41
PRSS1 P07477 2/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
F7 P08709 2/20 0.40
MAPK1 P28482 1/20 0.36
BRS3 P32247 1/20 0.35
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL7409111 0.87 F10 (0.56) F10TPSAB1F2PRSS1PLG
SCHEMBL7404083 0.79 F10 (0.53) F10TPSAB1F2PRSS1PLG
SCHEMBL7407457 0.79 F10 (0.67) F10TPSAB1F2PRSS1PLG
SCHEMBL7404092 0.79 F10 (0.64) F10TPSAB1F2PRSS1PLG
SCHEMBL7411798 0.79 F10 (0.85) F10TPSAB1F2PRSS1PLG
SCHEMBL7408212 0.79 F10 (0.66) F10TPSAB1F2PRSS1PLG
SCHEMBL7409477 0.79 F10 (0.68) F10TPSAB1F2PRSS1PLG
SCHEMBL7407196 0.79 F10 (0.66) F10TPSAB1F2PRSS1PLG
SCHEMBL7403742 0.77 F10 (0.64) F10TPSAB1F2PRSS1PLG
SCHEMBL7402830 0.77 F10 (0.56) 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 2 patents. 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 claimed
WO-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed