SCHEMBL8104404

SCHEMBL8104404

CC(C)Oc1ccc(NC(=O)CN(c2cccc(C#N)c2)C(C(=O)OC(C)(C)C)c2c[nH]cn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.36
MCHR1 Q99705 1/20 0.35
MAPT P10636 7/20 0.34
LTA4H P09960 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPK1 P28482 2/20 0.33
MAP2K2 P36507 1/20 0.33
CALCRL Q16602 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 1/20 0.33
NLRP1 Q9C000 1/20 0.33
RORC P51449 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
XBP1 P17861 1/20 0.32
ATM Q13315 1/20 0.32
MAPK14 Q16539 1/20 0.32
SMO Q99835 1/20 0.32

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
SCHEMBL8104039 0.91 RAB9A (0.35) PSMB5MCHR1MAPTALDH1A1MAP2K2
SCHEMBL8120742 0.83 MAOB (0.36)
SCHEMBL8112930 0.79 ALDH1A1 (0.35) PSMB5MCHR1MAPTALDH1A1MAP2K2
SCHEMBL8104610 0.79 POLB (0.35) KMT2ARORCGAA
SCHEMBL8113212 0.77 MAPT (0.38) PSMB5MCHR1MAPTALDH1A1LMNA
SCHEMBL8113483 0.77 NPC1 (0.35) PSMB5MCHR1MAPTALDH1A1MAPK1
SCHEMBL8104707 0.74 MCHR1 (0.47) PSMB5MCHR1MAPTALDH1A1MAPK1
SCHEMBL8118826 0.74 MAPT (0.38) PSMB5MCHR1MAPTALDH1A1LMNA
SCHEMBL8104401 0.72 MCHR1 (0.38) PSMB5MCHR1MAPTALDH1A1MAPK1
SCHEMBL8112413 0.72 NLRP3 (0.36) PSMB5MCHR1MAPTALDH1A1MAP2K2

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-1020434-A1 3-AMIDINOANILINE DERIVATIVES, ACTIVATED BLOOD COAGULATION FACTOR X INHIBITORS, AND INTERMEDIATES FOR PRODUCING BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2000-07-19 EP disclosed