SCHEMBL10327348

SCHEMBL10327348

Nc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c(N)c(N2CCOCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.52
▸ MAPT P10636 5/20 0.51
▸ POLB P06746 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ LMNA P02545 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ GAA P10253 2/20 0.47

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
SCHEMBL967099 0.89 SMN1; SMN2 (0.57) AKT1MAPTPOLBSMN1; SMN2TP53
SCHEMBL10327053 0.79 MAPT (0.55) MAPTPOLBSMN1; SMN2TP53LMNA
SCHEMBL10327149 0.78 LMNA (0.53) MAPTPOLBSMN1; SMN2TP53LMNA
SCHEMBL3459645 0.75 AKT1 (0.60) AKT1MAPTLMNAALDH1A1GAA
SCHEMBL12947374 0.75 MAPT (0.52) MAPTPOLBSMN1; SMN2TP53LMNA
SCHEMBL963620 0.74 LMNA (0.52) MAPTPOLBSMN1; SMN2TP53LMNA
SCHEMBL968558 0.74 LMNA (0.56) MAPTPOLBSMN1; SMN2TP53RXFP1
SCHEMBL964265 0.73 KMT2A (0.78) MAPTPOLBSMN1; SMN2TP53RXFP1
SCHEMBL19420176 0.72 MAPT (0.70) MAPTPOLBSMN1; SMN2TP53LMNA
SCHEMBL966884 0.72 MAPT (0.54) MAPTPOLBSMN1; SMN2TP53LMNA

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-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
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