SCHEMBL8438703

SCHEMBL8438703

Cc1cccc2c1n(Cc1ccc(C#N)cc1)c(=O)n2Cc1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
PIK3R1 P27986 2/20 0.43
PIK3CA P42336 2/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
AR P10275 2/20 0.41
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
KMT2A Q03164 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ATM Q13315 1/20 0.40
PARG Q86W56 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL7360802 0.87 C5AR1 (0.50) C5AR1PIK3R1PIK3CAMAPTALDH1A1
SCHEMBL8439059 0.86 CA12 (0.45) C5AR1PIK3R1PIK3CAMAPTALDH1A1
SCHEMBL7359654 0.82 PRMT5 (0.57) PRMT5WDR77LMNAARCYP19A1
SCHEMBL8442222 0.76 F10 (0.47) C5AR1KMT2A
SCHEMBL8443447 0.75 CYP19A1 (0.45) PRMT5WDR77ARCYP19A1CYP11B1
SCHEMBL8486671 0.75 ROCK2 (0.49) C5AR1PIK3R1PIK3CAMAPTALDH1A1
SCHEMBL14518245 0.73 C5AR1 (0.56) C5AR1MAPTALDH1A1LMNAKMT2A
SCHEMBL8441589 0.73 CFTR (0.49) PRMT5WDR77MAPTARCYP19A1
SCHEMBL25720085 0.71 C5AR1 (0.54) C5AR1MAPTALDH1A1LMNAKMT2A
SCHEMBL8443423 0.70 CFTR (0.52) MAPTALDH1A1ARCYP19A1CYP11B1

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 7 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
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-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