SCHEMBL4301092

SCHEMBL4301092

NC(CC(=O)Nc1ccccc1)Cc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.51
GAA P10253 1/20 0.51
DPP4 P27487 1/20 0.50
PTPRA P18433 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48

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
SCHEMBL288718 0.82 PTPRA (0.58) NPC1RAB9ASMN1; SMN2DPP4PTPRA
SCHEMBL5567026 0.79 SLC1A3 (0.57) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL5567032 0.79 SLC1A3 (0.57) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL2028409 0.77 CA1 (0.69) MAPK1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6997949 0.75 GRIN2D (0.66) SMN1; SMN2LMNADPP4PTPRAGRIN2D
SCHEMBL8509020 0.73 PTPRA (0.51) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL10576461 0.72 CA1 (0.67) MAPK1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL126509 0.72 PTPRA (0.67) SMN1; SMN2DPP4PTPRAGRIN2DGRIN3B
SCHEMBL22409316 0.72 PTPRA (0.67) SMN1; SMN2DPP4PTPRAGRIN2DGRIN3B
SCHEMBL126508 0.72 PTPRA (0.67) SMN1; SMN2DPP4PTPRAGRIN2DGRIN3B

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
WO-2009084737-A1 COMPOUND HAVING ACTIVITY TO SUPPRESS DEGRANULATION AND CYTOKINE PRODUCTION AND USE THEREOF INTERPROTEIN CORPORATION (JP) 2009-07-09 WO claimed
WO-2009084737-A1 COMPOUND HAVING ACTIVITY TO SUPPRESS DEGRANULATION AND CYTOKINE PRODUCTION AND USE THEREOF INTERPROTEIN CORPORATION (JP) 2009-07-09 WO disclosed