SCHEMBL7407196

SCHEMBL7407196

CC(C)(C)COc1cc(F)cc2[nH]c(Cc3nc4cc(C(=N)N)ccc4[nH]3)nc12

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.66
TPSAB1 Q15661 3/20 0.47
F2 P00734 3/20 0.47
PRSS1 P07477 2/20 0.47
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TPSD1 Q9BZJ3 1/20 0.47
TPSG1 Q9NRR2 1/20 0.47
F7 P08709 2/20 0.46

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
SCHEMBL7404092 0.91 F10 (0.64) F10TPSAB1F2PRSS1PLG
SCHEMBL7411798 0.87 F10 (0.85) F10TPSAB1F2PRSS1PLG
SCHEMBL7408212 0.87 F10 (0.66) F10TPSAB1F2PRSS1PLG
SCHEMBL7409477 0.87 F10 (0.68) F10TPSAB1F2PRSS1PLG
SCHEMBL7403742 0.85 F10 (0.64) F10TPSAB1F2PRSS1PLG
SCHEMBL7404586 0.84 F10 (0.65) F10TPSAB1F2PRSS1PLG
SCHEMBL7407457 0.82 F10 (0.67) F10TPSAB1F2PRSS1PLG
SCHEMBL7406422 0.82 F10 (0.60) F10TPSAB1F2PRSS1PLG
SCHEMBL7400737 0.82 F10 (0.70) F10TPSAB1F2PRSS1PLG
SCHEMBL7409928 0.82 F10 (0.64) 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
WO-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed