SCHEMBL8359684

SCHEMBL8359684

Brc1cnc2nc(C3CCNCC3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 9/20 0.46
HRH4 Q9H3N8 2/20 0.39
PRMT5 O14744 2/20 0.37
PIM1 P11309 2/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
CDC7 O00311 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33

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
SCHEMBL21853647 0.89 HPGDS (0.45) HPGDSMAPK8MAPK10
SCHEMBL25851400 0.77 HPGDS (0.38) HPGDSMAPK8MAPK10
SCHEMBL31127661 0.76 OPRM1 (0.41) HRH4PIM1CDC7CSNK2BCSNK2A1
SCHEMBL3063348 0.76 OPRM1 (0.41) HRH4PIM1CDC7CSNK2BCSNK2A1
SCHEMBL27146850 0.76 BACE1 (0.45) HRH4PIM1TLR9TLR8TLR7
SCHEMBL30718696 0.76 BACE1 (0.45) HRH4PIM1TLR9TLR8TLR7
SCHEMBL19411398 0.74 BACE1 (0.43) HRH4PIM1TLR9TLR8TLR7
SCHEMBL274998 0.74 SLC6A2 (0.41) HPGDSHRH4PRMT5
SCHEMBL8355547 0.70 PRMT5 (0.48) HPGDSPRMT5
SCHEMBL4923752 0.68 SMN1; SMN2 (0.40) CSNK2A1

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
US-5919792-A Integrin antagonists MERCK & CO., INC. (US) 1999-07-06 US disclosed