SCHEMBL5489713

SCHEMBL5489713

Nc1ccc(N)c([N+](=O)[O-])c1.Nc1ccc([N+](=O)[O-])cc1N

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.79
ALDH1A1 P00352 7/20 0.79
CYP3A4 P08684 5/20 0.79
ALOX15 P16050 3/20 0.79
TSHR P16473 4/20 0.56
MEN1 O00255 4/20 0.56
MAPT P10636 4/20 0.56
KMT2A Q03164 4/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 2/20 0.53
GAA P10253 1/20 0.53
THRB P10828 1/20 0.53
RECQL P46063 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 2/20 0.50
RAB9A P51151 1/20 0.50
TLR9 Q9NR96 1/20 0.50
GPR35 Q9HC97 1/20 0.47

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
SCHEMBL28866079 0.94 ALDH1A1 (0.69) TDP1ALDH1A1CYP3A4ALOX15TSHR
Ammonia Solution, Strong SCHEMBL28279786 0.92 ALDH1A1 (0.67) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL29358067 0.89 ALDH1A1 (1.00) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL78083 0.89 ALDH1A1 (1.00) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL3102562 0.88 TDP1 (0.76) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL23824901 0.87 ALDH1A1 (0.96) TDP1ALDH1A1CYP3A4ALOX15TSHR
Hydrochloric Acid SCHEMBL3336452 0.87 ALDH1A1 (0.96) TDP1ALDH1A1CYP3A4ALOX15TSHR
Hydrochloric Acid SCHEMBL1883446 0.87 ALDH1A1 (0.96) TDP1ALDH1A1CYP3A4ALOX15TSHR
Methane SCHEMBL28048595 0.87 ALDH1A1 (0.96) TDP1ALDH1A1CYP3A4ALOX15TSHR
Hydrochloric Acid SCHEMBL28284546 0.86 TDP1 (0.73) TDP1ALDH1A1CYP3A4ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108778239-A COMPOSITION AND METHOD OF PREPARATION 美国陶氏有机硅公司 2018-11-09 CN disclosed
US-9828170-B2 Methods for manufacturing an aerosol product DAIZO CORPORATION (JP) 2017-11-28 US disclosed
US-20150166253-A1 AEROSOL PRODUCT AND METHOD FOR MANUFACTURING SAME DAIZO CORPORATION (JP) 2015-06-18 US disclosed
WO-2007062198-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECHNOLOGY, INC. (US) 2007-05-31 WO disclosed