SCHEMBL9263752

SCHEMBL9263752

Cc1nnc(C)n1CCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
TSHR P16473 4/20 0.42
TDP1 Q9NUW8 2/20 0.36
HSD11B1 P28845 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CSNK2A2 P19784 2/20 0.34
CSNK2B P67870 2/20 0.34
CSNK2A1 P68400 2/20 0.34
CSNK2A3 Q8NEV1 2/20 0.34
TP53 P04637 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
GAA P10253 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
SCHEMBL10388579 0.93 MAPT (0.41) MAPTTSHRTDP1HSD11B1KDM4E
SCHEMBL7455602 0.84 ALDH1A1 (0.43) MAPTTSHRHSD11B1KDM4EMEN1
SCHEMBL11448924 0.77 HSD11B1 (0.53) TSHRTDP1HSD11B1KDM4EMEN1
SCHEMBL9460144 0.72 MAPT (0.48) MAPTTSHRTDP1KDM4EMEN1
SCHEMBL4487085 0.70 MAPT (0.63) MAPTTSHRTDP1KDM4EMEN1
SCHEMBL398824 0.65 PDE4A (0.42) MAPTTSHRKDM4EMEN1KMT2A
SCHEMBL11697413 0.64 TSHR (0.53) MAPTTSHRTDP1KDM4EMEN1
SCHEMBL31295166 0.64 KMT2A (0.39) MAPTTSHRMEN1KMT2ACSNK2A2
SCHEMBL13788796 0.62 PDE4A (0.40) MAPTTSHRKDM4EMEN1KMT2A
SCHEMBL2032325 0.58 ALDH1A1 (0.43) MAPTTSHRTDP1KDM4EMEN1

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-5428168-A Substituted butyrolactol ether derivative BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-06-27 US disclosed