SCHEMBL7017905

SCHEMBL7017905

O=CNc1cccnc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
NFKBIA P25963 2/20 0.38
RELA Q04206 2/20 0.38
MDM4 O15151 1/20 0.38
OPRK1 P41145 1/20 0.38
MDM2 Q00987 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDE10A Q9Y233 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
NPC1 O15118 2/20 0.37
S1PR4 O95977 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
KDR P35968 1/20 0.36
ELANE P08246 1/20 0.36

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
SCHEMBL1620480 0.79 KMT2A (0.43) KMT2AMEN1NFKBIARELAPDE10A
SCHEMBL31419067 0.79 ALDH1A1 (0.46) KMT2AMEN1NFKBIARELAPDE10A
SCHEMBL2267030 0.79 ALDH1A1 (0.46) KMT2AMEN1NFKBIARELAPDE10A
SCHEMBL10560613 0.78 KMT2A (0.54) KMT2AMEN1L3MBTL1LMNAGAA
Fluoride SCHEMBL23234546 0.77 NPC1 (0.43) KMT2AMEN1NFKBIARELAPDE10A
Hydrochloric Acid SCHEMBL28516416 0.77 KMT2A (0.42) KMT2AMEN1NFKBIARELAPDE10A
SCHEMBL9637625 0.76 NPC1 (0.56) KMT2AMEN1TDP1LMNAGAA
SCHEMBL28898320 0.75 KMT2A (0.47) KMT2AMEN1L3MBTL1LMNAGAA
SCHEMBL6252735 0.75 L3MBTL1 (0.57) KMT2AMEN1TDP1L3MBTL1LMNA
SCHEMBL1496443 0.75 IDO1 (0.42) KMT2AMEN1L3MBTL1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0662078-B1 REAGENTS FOR PEPTIDE COUPLINGS RES CORP TECHNOLOGIES INC (US) 2003-05-02 EP disclosed
US-RE38073-E1 Biosynthesis; using dehydration agent RESEARCH CORPORATIONS TECHNOLOGIES, INC. 2003-04-08 US disclosed
US-RE37686-E1 Azahydroxybenzotriazoles and derivatives thereof for peptide coupling reactions RESEARCH CORPORATION TECHNOLOGIES, INC. 2002-04-30 US disclosed
US-5698675-A AMIDATION; ESTERIFICATION RESEARCH CORPORATION TECH., INC. (US) 1997-12-16 US disclosed
US-5644029-A TRIAZOLO-PYRIDINE HETEROCYCLIC COMPOUNDS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-07-01 US disclosed
US-5580981-A YELLOW INDICATORS FADING TO COLORLESS UPON COMPLETION OF THE ACYLATION STEP IN AMIDE FORMATION; REACTION ACCELERATORS; LOWERS RACEMIZATION RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1996-12-03 US disclosed
EP-0662078-A1 NEW REAGENTS FOR PEPTIDE COUPLINGS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-07-12 EP disclosed
WO-1994007910-A1 NEW REAGENTS FOR PEPTIDE COUPLINGS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-04-14 WO disclosed