SCHEMBL9637757

SCHEMBL9637757

O=[N+]([O-])c1cc([N+](=O)[O-])c(C=Cc2c([N+](=O)[O-])cc([N+](=O)[O-])c(NCCO)c2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.53
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 6/20 0.39
MAPK1 P28482 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 8/20 0.38
HPGD P15428 3/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ATM Q13315 1/20 0.35
TTR P02766 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL9637754 1.00 MAPT (0.53) MAPTKMT2AMEN1PKMRAB9A
SCHEMBL9482631 0.83 MAPT (0.56) MAPTKMT2AMEN1PKMRAB9A
SCHEMBL9637744 0.82 MAPT (0.68) MAPTKMT2AMEN1PKMRAB9A
SCHEMBL9463559 0.82 MAPT (0.52) MAPTKMT2AMEN1PKMRAB9A
SCHEMBL9480826 0.78 MAPT (0.63) MAPTKMT2AMEN1PKMRAB9A
SCHEMBL10581032 0.77 MAPT (0.46) MAPTKMT2AMEN1PKMRAB9A
SCHEMBL700147 0.73 ALDH1A1 (0.52) MAPTKMT2AMEN1TDP1MAPK1
SCHEMBL700148 0.73 ALDH1A1 (0.52) MAPTKMT2AMEN1TDP1MAPK1
SCHEMBL11771330 0.72 ALDH1A1 (0.38) MAPTKMT2AMEN1TDP1MAPK1
SCHEMBL11771333 0.72 ALDH1A1 (0.38) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5081255-A Explosives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1992-01-14 US disclosed