SCHEMBL6086090

SCHEMBL6086090

Cc1c(N)cc(C(=O)O)cc1[S]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
TDP1 Q9NUW8 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TPMT P51580 2/20 0.45
HCAR1 Q9BXC0 1/20 0.39
MAPT P10636 6/20 0.39
ALDH1A1 P00352 5/20 0.39
GAA P10253 4/20 0.39
HPGD P15428 4/20 0.39
THRB P10828 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HSD17B10 Q99714 3/20 0.39
GFER P55789 2/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
RCE1 Q9Y256 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR35 Q9HC97 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL988442 0.85 TPMT (0.54) KDM4ETDP1MEN1KMT2ATPMT
SCHEMBL3252847 0.79 KDM4E (0.48) KDM4ETDP1MEN1KMT2ATPMT
SCHEMBL2890085 0.78 KDM4E (0.68) KDM4ETDP1MEN1KMT2ATPMT
SCHEMBL12640629 0.78 KDM4E (0.52) KDM4ETDP1MEN1KMT2ATPMT
SCHEMBL7513740 0.76 HCAR1 (0.39) KDM4ETDP1MEN1KMT2ATPMT
SCHEMBL6086095 0.76 KDM4E (0.46) KDM4ETDP1MEN1KMT2ATPMT
SCHEMBL1936829 0.76 TTR (0.52) KDM4ETDP1MEN1KMT2ATPMT
SCHEMBL18585737 0.76 TTR (0.52) KDM4ETDP1MEN1KMT2ATPMT
SCHEMBL447702 0.76 KDM4E (0.46) KDM4ETDP1MEN1KMT2ATPMT
SCHEMBL13283935 0.72 PKM (0.49) KDM4ETDP1MEN1KMT2ATPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116430-A1 Substituted polycyclic aryl and heteroaryl pyrimidinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-06-17 US claimed
US-6653316-B1 Coronary artery and cerebrovascular diseases PHARMACIA CORPORATION 2003-11-25 US claimed
WO-2001087851-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIMIDINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001087842-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
US-7015223-B1 Substituted polycyclic aryl and heteroaryl 1,2,4-triazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-03-21 US disclosed
US-6870056-B1 Substitituted polycyclic aryl and heteroaryl pyridones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-03-22 US disclosed
US-20040116430-A1 Substituted polycyclic aryl and heteroaryl pyrimidinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-06-17 US disclosed
US-6653316-B1 Coronary artery and cerebrovascular diseases PHARMACIA CORPORATION 2003-11-25 US disclosed
WO-2001087851-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIMIDINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO 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