SCHEMBL15534243

SCHEMBL15534243

COc1cnc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.49
ABCB1 P08183 2/20 0.49
MAPT P10636 4/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.48
PDK2 Q15119 1/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
GPR119 Q8TDV5 3/20 0.47
TLR9 Q9NR96 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
SUV39H2 Q9H5I1 1/20 0.45
TLR7 Q9NYK1 1/20 0.45

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
SCHEMBL15535416 0.86 MAPT (0.51) ALKMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL15534485 0.85 KMT2A (0.48) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL22738197 0.85 SMN1; SMN2 (0.48) ALKMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL15666121 0.85 CKS1B (0.48) ALKMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL15533552 0.85 GPR119 (0.54) ALKMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL15533996 0.83 EGLN2 (0.55) ALKMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL15534257 0.82 MAPT (0.52) ALKMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL2420167 0.81 POLB (0.52) MAPTLMNASMN1; SMN2ALDH1A1PDK2
SCHEMBL15534051 0.81 MAOB (0.47) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL3069067 0.80 GPR119 (0.53) ABCB1MAPTLMNASMN1; SMN2ALDH1A1

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-2013177253-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-11-28 WO disclosed