SCHEMBL3476285

SCHEMBL3476285

CCOc1c(N)c(N)c([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
POLB P06746 4/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PTGS2 P35354 1/20 0.33
APAF1 O14727 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
CASP7 P55210 1/20 0.32
CASP9 P55211 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
SCHEMBL30804568 0.82 GRIN2D (0.43) MAPTALDH1A1LMNAGRIN2DGRIN3B
SCHEMBL29242781 0.81 MAPT (0.41) MAPTALDH1A1LMNAGRIN2DGRIN3B
SCHEMBL1502252 0.78 GRIN2D (0.45) MAPTALDH1A1LMNAGRIN2DGRIN3B
SCHEMBL27946723 0.75 MAPT (0.44) MAPTALDH1A1LMNAGRIN2DGRIN3B
SCHEMBL27512449 0.73 MAPT (0.49) MAPTALDH1A1LMNAGRIN2DGRIN3B
SCHEMBL223752 0.72 TSHR (0.40) MAPTALDH1A1LMNAGRIN2DGRIN3B
SCHEMBL27619267 0.70 MAPT (0.47) MAPTALDH1A1LMNAGRIN2DGRIN3B
SCHEMBL7861184 0.70 ALDH1A1 (0.39) MAPTALDH1A1LMNAGRIN2DGRIN3B
SCHEMBL28284559 0.69 MAPT (0.45) MAPTALDH1A1LMNAGRIN2DGRIN3B
SCHEMBL27514850 0.69 ALDH1A1 (0.45) MAPTALDH1A1LMNAGRIN2DGRIN3B

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-7763753-B1 Methods for the production of 1,3,5-triamino-2,4,6-trinitrobenzene ALLIANT TECHSYSTEMS INC. (US) 2010-07-27 US disclosed