SCHEMBL9638422

SCHEMBL9638422

O=[N+]([O-])c1c(NCCO)c([N+](=O)[O-])c(-c2nnc(-c3c([N+](=O)[O-])c(NCCO)c([N+](=O)[O-])c(NCCO)c3[N+](=O)[O-])o2)c([N+](=O)[O-])c1NCCO

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MCL1 Q07820 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 3/20 0.35
USP2 O75604 1/20 0.35
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
ATM Q13315 1/20 0.34
PKM P14618 1/20 0.34
NPC1 O15118 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL9638435 0.84 MAPT (0.53) MAPTKMT2AMEN1RAB9ALMNA
SCHEMBL9638790 0.82 MAPT (0.49) MAPTKMT2AMEN1RAB9AALDH1A1
Nitric Acid SCHEMBL9638527 0.78 MAPT (0.47) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL9480960 0.74 ALDH1A1 (0.46) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL9480370 0.70 MAPT (0.43) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL9481067 0.70 ALDH1A1 (0.46) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL9637744 0.69 MAPT (0.68) MAPTKMT2AMEN1RAB9ALMNA
SCHEMBL9480826 0.69 MAPT (0.63) MAPTKMT2AMEN1RAB9ALMNA
SCHEMBL209618 0.65 RAB9A (0.58) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL9482631 0.64 MAPT (0.56) MAPTKMT2AMEN1RAB9ALMNA

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