SCHEMBL29282736

SCHEMBL29282736

O=C(N[N+](=O)[O-])c1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.69
MEN1 O00255 3/20 0.69
CES2 O00748 1/20 0.66
CES1 P23141 1/20 0.66
TP53 P04637 1/20 0.64
POLB P06746 2/20 0.62
MAPT P10636 1/20 0.62
BLM P54132 1/20 0.62
ALDH1A1 P00352 5/20 0.62
TSHR P16473 2/20 0.62
HPGD P15428 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
LMNA P02545 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
THRA P10827 1/20 0.58

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
SCHEMBL11060904 0.86 KMT2A (0.73) KMT2AMEN1CES2CES1TP53
SCHEMBL297043 0.84 KMT2A (0.71) KMT2AMEN1CES2CES1TP53
SCHEMBL29508878 0.84 KMT2A (0.71) KMT2AMEN1CES2CES1TP53
SCHEMBL434822 0.83 KMT2A (0.69) KMT2AMEN1CES2CES1TP53
SCHEMBL10355 0.83 KMT2A (0.69) KMT2AMEN1CES2CES1TP53
SCHEMBL4494074 0.83 KMT2A (0.69) KMT2AMEN1CES2CES1TP53
SCHEMBL6959553 0.83 KMT2A (0.69) KMT2AMEN1CES2CES1TP53
SCHEMBL432613 0.83 KMT2A (0.69) KMT2AMEN1CES2CES1TP53
Hydrochloric Acid SCHEMBL2045145 0.83 KMT2A (0.69) KMT2AMEN1CES2CES1TP53
SCHEMBL13168473 0.83 KMT2A (0.69) KMT2AMEN1CES2CES1TP53

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-118043459-A Chemically modified oligonucleotides 菲奥医药公司 2024-05-14 CN disclosed