SCHEMBL7969187

SCHEMBL7969187

N=C(N)c1ccc2[nH]c(-c3[nH]nc(-c4ccc(Br)cc4)c3O)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.67
F9 P00740 4/20 0.67
F11 P03951 3/20 0.67
F7 P08709 3/20 0.67
F2 P00734 8/20 0.47
PLAU P00749 8/20 0.47
PRSS1 P07477 8/20 0.47
PLG P00747 7/20 0.47
PLAT P00750 7/20 0.47
HPN P05981 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40

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
SCHEMBL20307774 0.89 F10 (0.67) F10F9F11F7F2
SCHEMBL7960699 0.89 F10 (0.67) F10F9F11F7F2
SCHEMBL7973134 0.87 F10 (0.64) F10F9F11F7F2
SCHEMBL7973887 0.81 F10 (0.70) F10F9F11F7F2
SCHEMBL7973776 0.81 F10 (1.00) F10F9F11F7F2
SCHEMBL7959410 0.80 F10 (0.79) F10F9F11F7F2
SCHEMBL10140709 0.79 F10 (0.48) F10F9F11F7F2
SCHEMBL7972817 0.77 F9 (0.54) F10F9F11F7
SCHEMBL7976836 0.77 F10 (0.54) F10F9F11F7F2
SCHEMBL7978435 0.77 F10 (0.83) F10F9F11F7F2

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
EP-2805939-B1 Heterocyclic compounds as factor IXA inhibitors. MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed