SCHEMBL7360640

SCHEMBL7360640

N=C(N)c1ccc(Cn2c(=O)n(Cc3ccc(C(=N)N)cc3)c3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.56
F10 P00742 6/20 0.52
HDAC1 Q13547 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PRSS1 P07477 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
PLG P00747 1/20 0.46
KLKB1 P03952 1/20 0.45
GAA P10253 1/20 0.45
MELK Q14680 1/20 0.44
F2 P00734 2/20 0.44

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
SCHEMBL7358748 0.86 WDR5 (0.50) PLAUF10PRSS1KLKB1F2
SCHEMBL8442222 0.83 F10 (0.47) PLAUF10MEN1KMT2ALOXL2
SCHEMBL8441533 0.83 F10 (0.64) PLAUF10PRSS1LOXL2PRSS2
SCHEMBL11636356 0.80 HDAC1 (0.53) HDAC1HDAC11HDAC8HDAC6MEN1
SCHEMBL8443202 0.79 PRSS1 (0.44) PLAUF10PRSS1LOXL2PRSS2
SCHEMBL8908041 0.79 F10 (0.53) F10PRSS1PRSS2PRSS3F2
SCHEMBL8438691 0.78 F10 (0.44) PLAUF10MEN1KMT2APRSS1
SCHEMBL9977532 0.78 HTR6 (0.50) HDAC1HDAC11HDAC8HDAC6MEN1
SCHEMBL7360668 0.77 F2 (0.54) PLAUF10PRSS1PLGKLKB1
SCHEMBL11641243 0.75 DRD2 (0.56) HDAC1HDAC11HDAC8HDAC6MEN1

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-5863914-A ADMINISTERING TO HUMAN N,N-DIMETHYLBENZENE OR N,N-DIMETHYLNAPHTHALENE-CYCLIC UREA DERIVATIVE TO TREAT A DISEASE-STATE CAUSED BY INHIBITION OF FACTOR XA MOHAN RAJU (US) 1999-01-26 US disclosed
US-5859005-A INHIBITORS OF THROMBIN AND FACTOR XA BERLEX LABORATORIES, INC. (US) 1999-01-12 US disclosed
EP-0848708-A1 N,N-DI(ARYLMETHYL)CYCLIC UREA DERIVATIVES AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1998-06-24 EP disclosed
US-5731308-A N,N-di(aryl) cyclic urea derivatives as anti-coagulants BERLEX LABORATORIES, INC. (US) 1998-03-24 US disclosed
US-5731311-A N,N-di(aryl) cyclic urea derivatives as anti-coagulants BERLEX LABORATORIES, INC. (US) 1998-03-24 US disclosed
US-5728697-A INHIBITORS OF FACTOR X BERLEX LABORATORIES, INC. (US) 1998-03-17 US disclosed
US-5726173-A ANTICOAGULANTS BERLEX LABORATORIES, INC. (US) 1998-03-10 US disclosed
US-5726198-A FOR INHIBITING COAGULATION ENZYMES BERLEX LABORATORIES, INC. (US) 1998-03-10 US disclosed
US-5612363-A FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. (US) 1997-03-18 US disclosed
WO-1996038421-A1 N,N-DI(ARYLMETHYL)CYCLIC UREA DERIVATIVES AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1996-12-05 WO disclosed