SCHEMBL3836084

SCHEMBL3836084

Cc1nnnn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(C(=N)N)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.68
F9 P00740 12/20 0.68
F2 P00734 7/20 0.64
PRSS1 P07477 7/20 0.64
PRSS2 P07478 7/20 0.64
PRSS3 P35030 7/20 0.64
KLKB1 P03952 1/20 0.59

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
SCHEMBL3829912 0.81 F10 (1.00) F10F9F2PRSS1PRSS2
SCHEMBL3832713 0.81 F10 (0.68) F10F9F2PRSS1PRSS2
SCHEMBL3833446 0.79 F10 (0.67) F10F9F2PRSS1PRSS2
SCHEMBL6390603 0.79 F10 (0.60) F10F9F2PRSS1PRSS2
SCHEMBL3831605 0.78 F10 (0.76) F10F9F2PRSS1PRSS2
SCHEMBL7237224 0.78 F10 (0.61) F10F9F2PRSS1PRSS2
SCHEMBL17064344 0.76 KLKB1 (0.84) F10F9F2PRSS1PRSS2
SCHEMBL6391329 0.76 F10 (0.61) F10F9F2PRSS1PRSS2
SCHEMBL18605138 0.75 KLKB1 (1.00) F10F9F2PRSS1PRSS2
SCHEMBL3834842 0.75 F10 (0.73) F10F9F2PRSS1PRSS2

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-0946508-B1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-09-23 EP claimed