SCHEMBL20649206

SCHEMBL20649206

CN(C)CCN(C)C(=O)Cn1ccc(NC(=O)c2ccc(NC(=O)C(N)CO)cc2)nc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
SPHK1 Q9NYA1 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 2/20 0.35
PIK3CA P42336 3/20 0.34
MTOR P42345 3/20 0.34
PIK3CG P48736 3/20 0.34
HTR1F P30939 1/20 0.33
RET P07949 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ADORA2A P29274 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MCHR1 Q99705 1/20 0.33
CIT O14578 2/20 0.32
ATR Q13535 1/20 0.32
AAK1 Q2M2I8 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
SCHEMBL20648894 0.84 MAPT (0.43) MAPTRAB9APIK3CAMTORPIK3CG
SCHEMBL20648915 0.84 MAPT (0.43) MAPTRAB9APIK3CAMTORPIK3CG
SCHEMBL20648979 0.83 SPHK1 (0.34) MAPTSPHK1SMN1; SMN2RAB9AHTR1F
SCHEMBL20649208 0.83 SPHK1 (0.34) MAPTSPHK1SMN1; SMN2RAB9AHTR1F
SCHEMBL20649005 0.80 SPHK1 (0.37) MAPTSPHK1SMN1; SMN2RAB9AALDH1A1
SCHEMBL20648866 0.79 SPHK1 (0.36) MAPTSPHK1SMN1; SMN2RAB9AADORA2A
SCHEMBL20648931 0.75 CA2 (0.34) SPHK1SMN1; SMN2RAB9AADORA2ANPC1
SCHEMBL20649249 0.73 HRH2 (0.40) SPHK1PIK3CAMTORHTR1FMCHR1
SCHEMBL20649100 0.71 SPHK1 (0.32) MAPTSPHK1CIT
SCHEMBL20648941 0.70 CIT (0.50) SPHK1SMN1; SMN2RAB9AADORA2ANPC1

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
WO-2019013789-A1 ANTIMICROBIAL COMPOUNDS CURZA GLOBAL, LLC (US) 2019-01-17 WO disclosed