SCHEMBL16602089

SCHEMBL16602089

O=C(O)c1c([N+](=O)[O-])cc([N+](=O)[O-])c(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ LMNA P02545 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ TSHR P16473 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ DTYMK P23919 1/20 0.42
▸ APEX1 P27695 1/20 0.41
▸ HCAR3 P49019 2/20 0.40
▸ GPR35 Q9HC97 2/20 0.39
▸ TPMT P51580 1/20 0.39

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
SCHEMBL28892095 0.81 ALDH1A1 (0.50) CA1CA2TDP1L3MBTL1CASP6
SCHEMBL16602338 0.81 TDP1 (0.42) CA1CA2LMNATDP1L3MBTL1
SCHEMBL4849618 0.81 TDP1 (0.55) CA1CA2LMNATDP1L3MBTL1
SCHEMBL28376083 0.80 CA1 (0.50) CA1CA2LMNATDP1L3MBTL1
SCHEMBL10743783 0.80 CA1 (0.50) CA1CA2LMNATDP1L3MBTL1
SCHEMBL11669412 0.79 TDP1 (0.41) CA1CA2LMNATDP1L3MBTL1
SCHEMBL28767647 0.78 CA1 (0.56) CA1CA2LMNATDP1L3MBTL1
SCHEMBL28401769 0.78 CASP6 (0.62) CA1CA2LMNATDP1L3MBTL1
SCHEMBL11670313 0.78 PKM (0.46) CA1CA2TDP1L3MBTL1CASP6
SCHEMBL1649527 0.78 CA1 (0.79) CA1CA2LMNATDP1L3MBTL1

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-8993289-B1 High-performance biocomposites, biopolymers, bioexplosives, and bioadhesives made from biomesitylene THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2015-03-31 — — US disclosed
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