SCHEMBL8104627

SCHEMBL8104627

Cc1[nH]cnc1C(C(=O)OC(C)(C)C)N(CC(=O)OCc1ccccc1)c1cccc(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL8104395 0.89 MAOB (0.35) POLBMAPTTDP1NPSR1
SCHEMBL8104610 0.85 POLB (0.35) POLBGAAMEN1KMT2A
SCHEMBL8113483 0.80 NPC1 (0.35) KMT2AMAPTTDP1XBP1NPSR1
SCHEMBL8113746 0.74 MAOB (0.39)
SCHEMBL8120742 0.73 MAOB (0.36)
SCHEMBL8114599 0.73 FASN (0.36) MAPTNPSR1
SCHEMBL8104624 0.70 RORC (0.36) MEN1KMT2ANPSR1
SCHEMBL8104607 0.69 RORC (0.36) MEN1KMT2ANPSR1
SCHEMBL8114528 0.68 FFAR1 (0.38) MEN1KMT2A
SCHEMBL8113743 0.65 FNTA (0.39)

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