SCHEMBL7018253

SCHEMBL7018253

COc1c(C(C)(C)C)ccnc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 2/20 0.34
GALR3 O60755 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
ATM Q13315 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
MAOA P21397 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
DAPK3 O43293 1/20 0.32
PLK1 P53350 1/20 0.32

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
SCHEMBL21383944 0.80 KMT2A (0.38) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL29947327 0.80 KMT2A (0.38) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL7017705 0.78 KMT2A (0.46) ALDH1A1TDP1KMT2AMEN1SMN1; SMN2
SCHEMBL5908245 0.78 KMT2A (0.39) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL5032018 0.77 HTT (0.41) ALDH1A1TDP1KMT2AMEN1SMN1; SMN2
SCHEMBL7010124 0.74 GAA (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL29561608 0.73 KMT2A (0.36) ALDH1A1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL12040240 0.73 L3MBTL1 (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL23034230 0.72 MAOA (0.46) ALDH1A1TDP1TSHRSMN1; SMN2ALOX5AP
SCHEMBL11418402 0.70 ALDH1A1 (0.58) ALDH1A1TDP1TSHRKMT2AMEN1

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