SCHEMBL5541908

SCHEMBL5541908

CC(C)(C)OC(=O)ON1CCCN1C(=O)Nc1ccc(N2CCOCC2=O)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.49
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 4/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL4454287 0.81 F10 (0.51) F10MEN1KMT2AHPGDTSHR
SCHEMBL4454046 0.81 F10 (0.51) F10MEN1KMT2AHPGDTSHR
SCHEMBL4447292 0.77 F10 (0.47) F10MEN1KMT2AHPGDTSHR
SCHEMBL4467772 0.75 F10 (0.50) F10MEN1KMT2AHPGDTSHR
SCHEMBL4476981 0.75 F10 (0.67) F10MEN1KMT2ATSHRMAPT
SCHEMBL4449727 0.74 F10 (0.51) F10MEN1KMT2AHPGDTSHR
SCHEMBL4448125 0.74 F10 (0.54) F10
SCHEMBL4447306 0.73 F10 (0.55) F10MEN1KMT2AMAPTMAPK1
SCHEMBL4005473 0.73 F10 (0.49) F10MEN1KMT2AHPGDTSHR
SCHEMBL5547980 0.72 F10 (0.50) F10MEN1KMT2AHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608645-B1 PYRAZOLIDINE-1,2-DICARBOXYLDIPHENYLAMIDE DERIVATIVES AS COAGULATION FACTOR XA INHIBITORS FOR THE TREATMENT OF THROMBOSES MERCK PATENT GMBH (DE) 2007-05-02 EP disclosed