SCHEMBL7687546

SCHEMBL7687546

O=C(CNC(=O)OCc1ccccc1)Nc1cc(NC(=O)CNC(=O)OCc2ccccc2)cc(C(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KDM1A O60341 1/20 0.57
RCOR1 Q9UKL0 1/20 0.57
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
MGLL Q99685 1/20 0.48
PARP1 P09874 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL7758912 0.88 KDM1A (0.64) LMNAHTTNPSR1KDM1ARCOR1
SCHEMBL24239933 0.87 ALDH1A1 (0.58) LMNAHTTNPSR1KDM1ARCOR1
SCHEMBL26482896 0.87 NPSR1 (0.46) LMNAHTTNPSR1KDM1ARCOR1
SCHEMBL6139487 0.86 MGLL (0.62) GAAALDH1A1SMN1; SMN2MGLLPOLB
SCHEMBL7315510 0.86 KDM1A (0.67) LMNAHTTNPSR1KDM1ARCOR1
SCHEMBL3937278 0.83 MGLL (0.62) GAAALDH1A1SMN1; SMN2MGLLPOLB
SCHEMBL7458364 0.83 ALDH1A1 (0.65) LMNAHTTNPSR1KDM1ARCOR1
SCHEMBL7624965 0.82 KDM1A (0.67) LMNAHTTNPSR1KDM1ARCOR1
SCHEMBL7683498 0.81 KDM1A (0.49) LMNAHTTNPSR1KDM1ARCOR1
SCHEMBL11925397 0.80 KDM1A (0.64) LMNAHTTNPSR1KDM1ARCOR1

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-1017684-B1 CONTRASTING AGENT FOR INFARCT AND NECROSIS IMAGING SCHERING AG (DE) 2002-11-20 EP disclosed
EP-0868202-B1 CASCADE POLYMER COMPLEXES, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME SCHERING AG (DE) 2002-08-28 EP disclosed
EP-1017684-A1 CONTRASTING AGENT FOR INFARCT AND NECROSIS IMAGING SCHERING AKTIENGESELLSCHAFT (DE) 2000-07-12 EP disclosed
US-6083479-A Contrast media for infarction and necrosis imaging SCHERING AKTIENGESELLSCHAFT (DE) 2000-07-04 US disclosed
US-6057419-A DRUGS AND IMAGES SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed
WO-1999016757-A1 CONTRASTING AGENT FOR INFARCT AND NECROSIS IMAGING SCHERING AKTIENGESELLSCHAFT (DE) 1999-04-08 WO disclosed
EP-0868202-A1 CASCADE POLYMER COMPLEXES, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME SCHERING AKTIENGESELLSCHAFT (DE) 1998-10-07 EP disclosed
WO-1997023245-A1 CASCADE POLYMER COMPLEXES, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME SCHERING AKTIENGESELLSCHAFT (DE) 1997-07-03 WO disclosed