SCHEMBL6993582

SCHEMBL6993582

O=C(O)CNC(=O)CNC(=O)CNC(=S)CC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
CYP3A4 P08684 4/20 0.50
HPGD P15428 3/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALOX15 P16050 1/20 0.50
CES1 P23141 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 8/20 0.46
ALOX12 P18054 1/20 0.46
ABAT P80404 1/20 0.46
PTPN1 P18031 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
CYP1A2 P05177 3/20 0.42
RAB9A P51151 3/20 0.42
CYP2C9 P11712 2/20 0.42

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
SCHEMBL8596365 0.93 MEN1 (0.57) KMT2AMEN1CYP3A4HPGDMAPT
SCHEMBL11276739 0.80 NR4A2 (0.58) KMT2AMEN1CYP3A4HPGDMAPT
SCHEMBL10790420 0.79 KMT2A (0.41) KMT2AMEN1CYP3A4HPGDMAPT
SCHEMBL9724358 0.78 PRSS1 (0.41) KMT2AMEN1CYP3A4HPGDMAPT
SCHEMBL7293621 0.78 KDM4E (0.59) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL7515133 0.78 KDM4E (0.59) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL9724366 0.77 PARP1 (0.39) KMT2AMEN1CYP3A4HPGDMAPT
SCHEMBL11064591 0.76 ALDH1A1 (0.67) KMT2AMEN1CYP3A4HPGDMAPT
SCHEMBL8865315 0.75 ABAT (0.44) KMT2ASMN1; SMN2ABATCYP2C19HIF1A
SCHEMBL7701997 0.73 POLB (0.57) KMT2AMEN1CYP3A4HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0606683-B1 Means for diagnosis of angiogenic diseases DIAGNOSTIKFORSCHUNG INST (DE) 2003-01-02 EP claimed
EP-0606683-B1 Means for diagnosis of angiogenic diseases DIAGNOSTIKFORSCHUNG INST (DE) 2003-01-02 EP disclosed
US-6342201-B1 COMPLEXES WHICH ENRICH ARTERIOSCLEROTIC PLAQUE AND ARE PREFERENTIALLY SUITED FOR NON-INVASIVE DIAGNOSIS OF ARTERIOSCLEROSIS INSTITUT FOR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT (DE) 2002-01-29 US disclosed
EP-0772633-A1 COMPLEXES FOR USE IN THE DIAGNOSIS OF VASCULAR DISEASES INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) 1997-05-14 EP disclosed
WO-1996002568-A1 COMPLEXES FOR USE IN THE DIAGNOSIS OF VASCULAR DISEASES INSTITUT FÜR DIAGNOSTIKFORSCHUNG GMBH (DE) 1996-02-01 WO disclosed
EP-0606683-A2 Means for diagnosis of angiogenic diseases INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) 1994-07-20 EP disclosed
US-5185433-A Cross-linking protein compositions having two or more identical binding sites CENTOCOR, INC. (US) 1993-02-09 US disclosed
US-5162505-A Proteins modified with positively charged carriers and compositions prepared therefrom CENTOCOR (US) 1992-11-10 US disclosed
US-5144043-A Coupling protein or peptide to radionucleotide; labeling antibodies CENTOCOR (US) 1992-09-01 US disclosed