SCHEMBL1543694

SCHEMBL1543694

CC(C)(C)N(CC1CCCN(C(=N)N)C1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.43
CPB2 Q96IY4 2/20 0.43
EED O75530 4/20 0.40
TPSAB1 Q15661 6/20 0.38
TPSD1 Q9BZJ3 6/20 0.38
TPSG1 Q9NRR2 6/20 0.38
IL2RA P01589 1/20 0.37
ALB P02768 1/20 0.37
IL2 P60568 1/20 0.37
F2 P00734 3/20 0.35
F10 P00742 1/20 0.35
PRSS2 P07478 1/20 0.35
CTRC Q99895 1/20 0.35
BACE1 P56817 2/20 0.33
CTSD P07339 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
SCHEMBL1700074 0.85 FEN1 (0.39) BACE1CTSD
SCHEMBL1700057 0.76 NR1D1 (0.38)
SCHEMBL8719619 0.75 EED (0.47) CPN1CPB2EEDTPSAB1TPSD1
SCHEMBL1812909 0.75 ALDH1A1 (0.41)
SCHEMBL8575870 0.73 EED (0.47) CPN1CPB2EEDF2
SCHEMBL9060473 0.73 EED (0.47) CPN1CPB2EEDF2
SCHEMBL8578826 0.73 EED (0.47) CPN1CPB2EEDF2
SCHEMBL8581022 0.73 EED (0.47) CPN1CPB2EEDF2
Sulfurous Acid SCHEMBL7298457 0.72 EED (0.38) CPN1CPB2EEDTPSAB1TPSD1
SCHEMBL8947728 0.72 EED (0.38) CPN1CPB2EEDTPSAB1TPSD1

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-2307378-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP disclosed