SCHEMBL6794022

SCHEMBL6794022

CC(C)(C)C(NC(=O)O)C12CCC(CNc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])(CC1)CC2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.46
PKM P14618 4/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 6/20 0.42
KMT2A Q03164 2/20 0.42
DOT1L Q8TEK3 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MAPK1 P28482 2/20 0.40
MCL1 Q07820 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2946907 0.82 MAPT (0.52) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL4478837 0.82 BCL2L1 (0.55) MCL1
SCHEMBL6794026 0.80 SMN1; SMN2 (0.48) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL2952091 0.78 SMN1; SMN2 (0.53) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL2388189 0.71 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL1700332 0.70 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL2481803 0.70 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL28525704 0.70 MAPT (0.51) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL28526212 0.70 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL16037529 0.69 MAPT (0.59) MAPTPKMPOLBSMN1; SMN2GAA

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-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed