SCHEMBL7359654

SCHEMBL7359654

N#Cc1ccc(Cn2c(=O)n(Cc3ccc(C#N)cc3)c3ccccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.57
WDR77 Q9BQA1 1/20 0.57
CYP19A1 P11511 1/20 0.50
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
KMT2A Q03164 2/20 0.48
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
DRD2 P14416 1/20 0.47
TBXA2R P21731 1/20 0.47
CNR2 P34972 1/20 0.46
AR P10275 2/20 0.46
PARG Q86W56 1/20 0.46
MEN1 O00255 1/20 0.46
OPRM1 P35372 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL8441589 0.85 CFTR (0.49) PRMT5WDR77CYP19A1HDAC1HDAC8
SCHEMBL8438703 0.82 C5AR1 (0.49) PRMT5WDR77CYP19A1HDAC1HDAC8
SCHEMBL8443423 0.82 CFTR (0.52) CYP19A1HDAC1HDAC8HDAC6AR
SCHEMBL17930690 0.81 CYP19A1 (0.63) CYP19A1HDAC1HDAC6KMT2ADRD2
SCHEMBL31022838 0.81 CYP19A1 (0.63) CYP19A1HDAC1HDAC6KMT2ADRD2
SCHEMBL19745603 0.80 KMT2A (0.51) PRMT5WDR77CYP19A1HDAC1HDAC8
SCHEMBL8019318 0.79 LMNA (0.69) KMT2AARMEN1OPRM1LMNA
SCHEMBL2916194 0.79 L3MBTL1 (0.70) DRD2LMNAHTTL3MBTL1USP2
SCHEMBL8443447 0.78 CYP19A1 (0.45) PRMT5WDR77CYP19A1CA12CA2
SCHEMBL13744898 0.77 MAPT (0.47) PRMT5WDR77HDAC1HDAC8HDAC6

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