SCHEMBL6364147

SCHEMBL6364147

Cc1cc(N)c(N)c[n+]1[O-]

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTK2 Q05397 1/20 0.33
CD44 P16070 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL9455795 0.79 CA12 (0.32) CYP3A4TSHRMAPK1
SCHEMBL13847214 0.79
SCHEMBL16749033 0.74 FFAR4 (0.38) SMN1; SMN2TSHR
SCHEMBL5944638 0.65 CYP3A4 (0.37) CYP3A4THRBALOX15TDP1TSHR
SCHEMBL11323882 0.65
SCHEMBL9915413 0.65 HCAR2 (0.35) HCAR2TSHR
SCHEMBL9455876 0.65 HCAR2 (0.31) HCAR2TSHR
SCHEMBL318112 0.64 ALDH1A1 (0.30)
SCHEMBL9736958 0.63
SCHEMBL8683495 0.63 ALDH1A1 (0.37) CYP3A4TP53ALOX15TDP1HCAR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867217-B1 Substituted polycyclic aryl and heteroaryl pyridones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-03-15 US disclosed
EP-1178964-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2002-02-13 EP disclosed
WO-2001087842-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO disclosed
WO-2000069826-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2000-11-23 WO disclosed