SCHEMBL9480370

SCHEMBL9480370

O=[N+]([O-])c1c(Cl)c([N+](=O)[O-])c(NCCO)c([N+](=O)[O-])c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 1/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
POLB P06746 2/20 0.35
ATM Q13315 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 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
SCHEMBL9638790 0.86 MAPT (0.49) MAPTKMT2AMEN1RAB9ANPC1
Nitric Acid SCHEMBL9638527 0.82 MAPT (0.47) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL9480960 0.78 ALDH1A1 (0.46) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL9481067 0.78 ALDH1A1 (0.46) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL4773953 0.74 POLB (0.40) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL9637744 0.73 MAPT (0.68) MAPTKMT2AMEN1RAB9ATSHR
SCHEMBL3476651 0.72 TSHR (0.65) MAPTRAB9ANPC1TSHRALDH1A1
SCHEMBL4776141 0.72 POLB (0.43) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL209618 0.71 RAB9A (0.58) MAPTKMT2AMEN1RAB9ATSHR
SCHEMBL9771617 0.71 MAPT (0.47) MAPTKMT2AMEN1RAB9ANPC1

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-5194659-A High melting amino aromatic nitrate esters THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1993-03-16 US disclosed