SCHEMBL9463559

SCHEMBL9463559

O=[N+]([O-])c1cc([N+](=O)[O-])c(NCCO)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.52
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
TDP1 Q9NUW8 6/20 0.49
MAPK1 P28482 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 8/20 0.49
GAA P10253 1/20 0.48
PKM P14618 1/20 0.47
HTT P42858 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
GPR35 Q9HC97 4/20 0.46
TTR P02766 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL10581032 0.88 MAPT (0.46) MAPTKMT2AMEN1TDP1MAPK1
SCHEMBL9482631 0.85 MAPT (0.56) MAPTKMT2AMEN1TDP1MAPK1
SCHEMBL9498739 0.84 MAPT (0.69) MAPTKMT2AMEN1TDP1MAPK1
SCHEMBL23579964 0.84 MAPT (0.49) MAPTKMT2AMEN1TDP1MAPK1
SCHEMBL9637744 0.82 MAPT (0.68) MAPTKMT2AMEN1TDP1L3MBTL1
SCHEMBL9637754 0.82 MAPT (0.53) MAPTKMT2AMEN1TDP1MAPK1
SCHEMBL9637757 0.82 MAPT (0.53) MAPTKMT2AMEN1TDP1MAPK1
SCHEMBL11969793 0.81 KMT2A (0.47) MAPTKMT2AMEN1TDP1MAPK1
SCHEMBL3337954 0.80 MAPT (0.48) MAPTKMT2AMEN1TDP1MAPK1
SCHEMBL9655244 0.80 MEN1 (0.59) MAPTKMT2AMEN1TDP1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5214189-A N-(2-hydroxyethyl nitrate)-2,4,6,-trinitrobenzamide THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1993-05-25 US disclosed
US-4665083-A ANTIDEPRESSANT, ANTIEPILEPTIC, SPASMOLYTIC, ANTIPARKINSONIC EGIS GYOGYSZERGYAR (HU) 1987-05-12 US disclosed