SCHEMBL6994495

SCHEMBL6994495

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
CYP3A4 P08684 2/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
CES1 P23141 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTPN1 P18031 2/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
ALDH1A1 P00352 5/20 0.39
ALOX12 P18054 1/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.39
PLOD2 O00469 2/20 0.38
HIF1A Q16665 2/20 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
SCHEMBL6989814 0.86 NR4A2 (0.42) KMT2ASMN1; SMN2MAPTMEN1CYP3A4
SCHEMBL6991984 0.79 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2MAPTMEN1CYP3A4
SCHEMBL8596365 0.78 MEN1 (0.57) KMT2ASMN1; SMN2MAPTMEN1CYP3A4
SCHEMBL6993582 0.73 KMT2A (0.50) KMT2ASMN1; SMN2MAPTMEN1CYP3A4
SCHEMBL9352755 0.71 KMT2A (0.44) KMT2ASMN1; SMN2MAPTMEN1CYP3A4
SCHEMBL5931323 0.68 KMT2A (0.61) KMT2ASMN1; SMN2MAPTMEN1CYP3A4
SCHEMBL8725848 0.67 GPR139 (0.56) KMT2AMAPTKDM4EALDH1A1
SCHEMBL11285319 0.67 MAPT (0.52) KMT2ASMN1; SMN2MAPTMEN1CYP3A4
SCHEMBL1271165 0.66 KMT2A (0.73) KMT2ASMN1; SMN2MAPTMEN1CYP3A4
SCHEMBL9129270 0.66 KMT2A (0.59) KMT2ASMN1; SMN2MAPTMEN1CYP3A4

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 2 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
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