SCHEMBL7012103

SCHEMBL7012103

O=C(On1nnc2cccnc21)C(=O)On1nnc2cccnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.44
MGLL Q99685 4/20 0.44
SIRT2 Q8IXJ6 3/20 0.38
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
LMNA P02545 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 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
SCHEMBL26599029 0.89 FAAH (0.43) FAAHMGLLSIRT2HDAC3HDAC4
SCHEMBL24582801 0.87 FAAH (0.42) FAAHMGLLSIRT2HDAC3HDAC4
SCHEMBL9996736 0.87 FAAH (0.45) FAAHMGLLSIRT2HDAC3HDAC4
SCHEMBL12435588 0.87 FAAH (0.45) FAAHMGLLSIRT2LMNAKRAS
Hydrochloric Acid SCHEMBL31023950 0.86 FAAH (0.41) FAAHMGLLSIRT2HDAC3HDAC4
SCHEMBL2217546 0.84 FAAH (0.43) FAAHMGLLSIRT2LMNAKRAS
SCHEMBL2293707 0.84 FAAH (0.43) FAAHMGLLSIRT2LMNAKRAS
SCHEMBL23974808 0.84 FAAH (0.49) FAAHMGLLHDAC3HDAC4HDAC1
SCHEMBL2295830 0.84 FAAH (0.43) FAAHMGLLSIRT2HDAC3HDAC4
SCHEMBL12435616 0.83 HPSE (0.45) FAAHMGLLSIRT2LMNAKRAS

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