SCHEMBL13439293

SCHEMBL13439293

C=CCN(C)C(=N)c1ccc(NC(=O)C(NC(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.43
UTS2R Q9UKP6 4/20 0.43
MAPT P10636 2/20 0.42
S1PR4 O95977 1/20 0.42
S1PR3 Q99500 1/20 0.42
CNR1 P21554 2/20 0.41
CASR P41180 1/20 0.40
FPR2 P25090 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
EP300 Q09472 1/20 0.38
HPN P05981 2/20 0.38
KLK7 P49862 1/20 0.38
PLAU P00749 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13439296 0.90 F7 (0.41) F7UTS2RMAPTS1PR4S1PR3
SCHEMBL8262945 0.88 MAPT (0.47) F7UTS2RMAPTS1PR4S1PR3
SCHEMBL8263562 0.86 F7 (0.48) F7UTS2RMAPTS1PR4S1PR3
SCHEMBL8265206 0.85 F7 (0.43) F7UTS2RMAPTS1PR4S1PR3
SCHEMBL8264472 0.79 S1PR3 (0.55) F7MAPTS1PR4S1PR3CNR1
SCHEMBL8262948 0.78 F10 (0.43) F7UTS2RMAPTS1PR4S1PR3
SCHEMBL13439295 0.77 F10 (0.46) F7UTS2RMAPTS1PR4S1PR3
SCHEMBL8265161 0.76 F7 (0.41) F7UTS2RMAPTS1PR4S1PR3
SCHEMBL6376149 0.75 MEN1 (0.59) UTS2RMAPTCNR1CASRFPR2
SCHEMBL6376157 0.75 MEN1 (0.59) UTS2RMAPTCNR1CASRFPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed