SCHEMBL13927746

SCHEMBL13927746

NC(=S)N1CCN(c2ccccc2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
NTRK1 P04629 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
F10 P00742 2/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRMT1 Q99873 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
SCHEMBL5585348 0.84 MEN1 (0.62) NPC1RAB9AKMT2AMEN1DRD2
SCHEMBL17993541 0.83 RAB9A (0.49) NPC1RAB9AKMT2AMEN1DRD2
SCHEMBL14817515 0.79 MEN1 (0.55) NPC1RAB9AKMT2AMEN1DRD2
SCHEMBL2670692 0.77 NPC1 (0.62) NPC1RAB9AKMT2AMEN1DRD2
SCHEMBL10202845 0.77 NPC1 (0.62) NPC1RAB9AKMT2AMEN1DRD2
SCHEMBL11861565 0.77 KMT2A (0.62) NPC1RAB9AKMT2AMEN1DRD2
SCHEMBL610584 0.77 NPC1 (1.00) NPC1RAB9AKMT2AMEN1DRD2
SCHEMBL2605827 0.75 MEN1 (0.50) NPC1RAB9AKMT2AMEN1DRD2
SCHEMBL10172493 0.75 MEN1 (0.50) NPC1RAB9AKMT2AMEN1DRD2
SCHEMBL15014970 0.74 MEN1 (0.49) NPC1RAB9AKMT2AMEN1DRD2

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
EP-2426108-B1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC (CA) 2016-08-10 EP disclosed
WO-2009026720-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS METHYLGENE INC. (CA) 2009-03-05 WO disclosed