SCHEMBL8719328

SCHEMBL8719328

NCCNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
CHRM2 P08172 1/20 0.56
ADRA2A P08913 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
DRD1 P21728 1/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
CYP2C19 P33261 1/20 0.56
ADRA1A P35348 1/20 0.56
DRD3 P35462 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
CA1 P00915 17/20 0.52
CA2 P00918 17/20 0.52
CA4 P22748 9/20 0.52

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
SCHEMBL21539283 1.00 TDP1 (0.56) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL15499780 1.00 TDP1 (0.56) TDP1KDM4ELMNACHRM2ADRA2A
Water SCHEMBL8536223 0.98 TDP1 (0.54) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL9397104 0.92 CA1 (0.43) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL17897098 0.92 CA1 (0.47) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL19262245 0.89 TDP1 (0.52) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL8536277 0.88 TDP1 (0.65) TDP1KDM4ELMNACHRM2ADRA2A
Water SCHEMBL8989343 0.87 CA1 (0.43) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL23308012 0.85 CA1 (0.43) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL8877901 0.84 CA1 (0.47) TDP1KDM4ELMNACHRM2ADRA2A

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-2021793-B1 POLYMER BACKBONE ELEMENT TAGS FLUIDIGM CANADA INC (CA) 2017-04-26 EP disclosed
US-9012239-B2 Polymer backbone element tags FLUIDIGM CANADA INC. (CA) 2015-04-21 US disclosed
US-20080003616-A1 Polymer backbone element tags STANDARD BIOTOOLS CANADA INC. (CA) 2008-01-03 US disclosed
US-5730956-A DTPA di-alkyl monoamides for x-ray and MRI SCHERING AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
EP-0810990-A1 SUBSTITUTED DTPA MONOAMIDES OF CENTRAL CARBOXYLIC ACIDS AND METAL COMPLEXES THEREOF, PHARMACEUTICALS CONTAINING THESE COMPLEXES, DIAGNOSTIC AND THERAPEUTIC USES THEREOF AND METHODS FOR PREPARING THE COMPLEXES AND PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-10 EP disclosed
US-5679852-A Process for the production of DTPA-monoamides of the central carboxylic acid and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
US-5676923-A SOLUBLE, STABLE, ORGAN-SPECIFIC NUCLEAR MAGNETIC RESONANCE CONTRAST AGENT SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
WO-1996026182-A1 SUBSTITUTED DTPA MONOAMIDES OF CENTRAL CARBOXYLIC ACIDS AND METAL COMPLEXES THEREOF, PHARMACEUTICALS CONTAINING THESE COMPLEXES, DIAGNOSTIC AND THERAPEUTIC USES THEREOF AND METHODS FOR PREPARING THE COMPLEXES AND PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1996-08-29 WO disclosed