SCHEMBL7017705

SCHEMBL7017705

COc1ccnc([N+](=O)[O-])c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.41
PRMT1 Q99873 1/20 0.41
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HTT P42858 2/20 0.40
PTGS2 P35354 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
S1PR4 O95977 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38

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
SCHEMBL5908245 0.82 KMT2A (0.39) KMT2AMEN1ALDH1A1TDP1ATM
SCHEMBL27464826 0.81 KMT2A (0.45) KMT2AMEN1ALDH1A1TDP1ATM
SCHEMBL21383944 0.81 KMT2A (0.38) KMT2AMEN1ALDH1A1TDP1ATM
SCHEMBL29947327 0.81 KMT2A (0.38) KMT2AMEN1ALDH1A1TDP1ATM
SCHEMBL5032018 0.81 HTT (0.41) KMT2AMEN1ALDH1A1TDP1ATM
SCHEMBL7010124 0.78 GAA (0.38) KMT2AMEN1ALDH1A1ATMNPC1
SCHEMBL7018253 0.78 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1TDP1ATM
SCHEMBL29561608 0.77 KMT2A (0.36) KMT2AMEN1ALDH1A1ATMNPC1
SCHEMBL8437 0.76 HTT (0.55) KMT2AMEN1ALDH1A1TDP1ATM
SCHEMBL30828970 0.73 KMT2A (0.33) KMT2AMEN1ALDH1A1ATMNPC1

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