SCHEMBL5549908

SCHEMBL5549908

CC(C)(C)C(CN1CCNC(=O)C1)NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.36
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 7/20 0.34
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3632658 0.83 CHRM5 (0.45) SMN1; SMN2ALDH1A1CHRM5CHRM3KMT2A
SCHEMBL18354053 0.72 TOP2A (0.42) SMN1; SMN2TSHRPOLBALDH1A1THRB
SCHEMBL7361998 0.72 TSHR (0.38) SMN1; SMN2TSHRPOLBALDH1A1THRB
SCHEMBL25274359 0.71 TOP2A (0.45) SMN1; SMN2TSHRPOLBALDH1A1THRB
SCHEMBL8826610 0.71 TOP2A (0.45) SMN1; SMN2TSHRPOLBALDH1A1THRB
SCHEMBL9967746 0.71 PIK3CD (0.55) SMN1; SMN2TSHRALDH1A1THRBTOP2A
SCHEMBL5504851 0.70 TSHR (0.39) SMN1; SMN2TSHRPOLBALDH1A1THRB
SCHEMBL16233027 0.69 SMN1; SMN2 (0.48) SMN1; SMN2TSHRPOLBALDH1A1THRB
SCHEMBL8276616 0.69 TOP2A (0.39) SMN1; SMN2TSHRTHRBTOP2ATOP2B
SCHEMBL24739921 0.69 CHRM5 (0.67) SMN1; SMN2POLBALDH1A1TOP2ATOP2B

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-1846411-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-10-24 EP disclosed
WO-2006081289-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-08-03 WO disclosed