SCHEMBL7973776

SCHEMBL7973776

N=C(N)c1ccc2nc(-c3[nH]nc(-c4ccccc4)c3O)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 1.00
F9 P00740 4/20 1.00
F7 P08709 4/20 1.00
F11 P03951 3/20 1.00
PLAU P00749 9/20 0.68
PRSS1 P07477 9/20 0.68
F2 P00734 10/20 0.64
PLG P00747 8/20 0.64
PLAT P00750 8/20 0.64
HPN P05981 1/20 0.58
PRSS2 P07478 1/20 0.58
PRSS3 P35030 1/20 0.58

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
SCHEMBL7978435 0.91 F10 (0.83) F10F9F7F11PLAU
SCHEMBL7959410 0.88 F10 (0.79) F10F9F7F11PLAU
SCHEMBL7972717 0.87 F9 (0.77) F10F9F7F11
SCHEMBL16258936 0.86 F10 (0.76) F10F9F7F11PLAU
SCHEMBL7982582 0.86 F10 (0.76) F10F9F7F11PLAU
SCHEMBL7973887 0.82 F10 (0.70) F10F9F7F11PLAU
SCHEMBL10139860 0.82 F9 (0.69) F10F9F7F11
SCHEMBL7977546 0.81 F10 (0.68) F10F9F7F11PLAU
SCHEMBL1232783 0.81 F10 (1.00) F10F9F7F11PLAU
SCHEMBL7974859 0.81 F9 (0.68) F10F9F7F11PLAU

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-A1 Heterocyclic compounds as factor IXA inhibitors. Merck Sharp & Dohme Corp. (US) 2014-11-26 EP disclosed
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed