SCHEMBL6991984

SCHEMBL6991984

O=C(CC(=S)NCC(NC(=S)CC(=O)c1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
CYP3A4 P08684 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
CES1 P23141 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ERCC5 P28715 2/20 0.42
FEN1 P39748 2/20 0.42
PTPN1 P18031 1/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 5/20 0.41
ALOX12 P18054 1/20 0.41
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL9352755 0.85 KMT2A (0.44) SMN1; SMN2MAPTMEN1CYP3A4HPGD
SCHEMBL9737417 0.79 MME (0.47) SMN1; SMN2MAPTMEN1CYP3A4HPGD
SCHEMBL9737425 0.79 MME (0.47) SMN1; SMN2MAPTMEN1CYP3A4HPGD
SCHEMBL6994495 0.79 KMT2A (0.44) SMN1; SMN2MAPTMEN1CYP3A4HPGD
SCHEMBL6989814 0.77 NR4A2 (0.42) SMN1; SMN2MAPTMEN1CYP3A4HPGD
SCHEMBL8596365 0.74 MEN1 (0.57) SMN1; SMN2MAPTMEN1CYP3A4HPGD
SCHEMBL10505514 0.72 GPR139 (0.41) SMN1; SMN2MAPTMEN1CYP3A4HPGD
SCHEMBL24130554 0.72 NPC1 (0.57) SMN1; SMN2PTPN1GAARAB9ANPC1
SCHEMBL24130553 0.72 NPC1 (0.57) SMN1; SMN2PTPN1GAARAB9ANPC1
SCHEMBL11285319 0.72 MAPT (0.52) SMN1; SMN2MAPTMEN1CYP3A4HPGD

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 6 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