SCHEMBL28201737

SCHEMBL28201737

CC(C)c1ccc(C(=NC(N)=O)c2ccccc2)c(C(C)C)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
PDK1 Q15118 1/20 0.33
HTT P42858 2/20 0.33
CYP1A2 P05177 1/20 0.33
LMNA P02545 3/20 0.32
CES2 O00748 3/20 0.32
CES1 P23141 2/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.31

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
SCHEMBL27656489 0.78 KMT2A (0.40) MAPTALDH1A1PDK1HTTCYP1A2
SCHEMBL28201889 0.73 ALDH1A1 (0.34) MAPTALDH1A1HTTCYP1A2CES2
SCHEMBL28202467 0.70 MAPT (0.33) MAPTALDH1A1HTTCYP1A2LMNA
SCHEMBL28201713 0.69 AGTR1 (0.34) MAPTALDH1A1LMNACES2CES1
SCHEMBL28202470 0.65 TSHR (0.62) MAPTALDH1A1HTTCES2CES1
SCHEMBL2525946 0.65 TSHR (0.51) GABRA1GABRB1ALDH1A1CYP1A2LMNA
SCHEMBL2029859 0.62 PDK1 (0.35) ALDH1A1PDK1NPSR1TDP1
SCHEMBL11107197 0.62 CES2 (0.52) BCL2MCL1GABRA1GABRB1MAPT
SCHEMBL18983671 0.62 TDP1 (0.52) GABRA1GABRB1MAPTALDH1A1CYP1A2
SCHEMBL27956071 0.61 TDP1 (0.45) MAPTALDH1A1HTTLMNASMN1; SMN2

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
CN-107778210-A The synthetic method of 3 selenoindoles class compounds 苏州大学 2018-03-09 CN disclosed