SCHEMBL9394285

SCHEMBL9394285

NCCCCCCNC(=O)CN(CCN(CC(=O)NCCCCCCN)CC(=O)NCCCCCCN)CCN(CC(=O)NCCCCCCN)CC(=O)NCCCCCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.50
KDM4A O75164 1/20 0.47
HIF1A Q16665 1/20 0.47
TET2 Q6N021 1/20 0.47
DOHH Q9BU89 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
SLC6A5 Q9Y345 2/20 0.43
ALDH1A1 P00352 1/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA4 P22748 3/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 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
SCHEMBL14526684 0.98 PAOX (0.52) PAOXKDM4AHIF1ATET2DOHH
SCHEMBL9393098 0.92 CA1 (0.41) PAOXKDM4AHIF1ATET2DOHH
SCHEMBL19262245 0.86 TDP1 (0.52) KDM4ELMNACA1CA2CA4
SCHEMBL2028359 0.85 CASP2 (0.50) SLC6A5GNAI3GNAO1GNAI1
SCHEMBL8723696 0.85 SLC6A5 (0.55) PAOXKDM4AHIF1ATET2DOHH
SCHEMBL9397104 0.84 CA1 (0.43) KDM4ELMNACA1CA2CA4
SCHEMBL13004656 0.84 CA2 (0.46) KDM4ELMNACA1CA2CA4
SCHEMBL26223077 0.82 CA1 (0.40) CA1CA2CA4CA12CA9
SCHEMBL12201188 0.81 CASP2 (0.58) MEN1KMT2A
SCHEMBL2030507 0.81 CASP2 (0.46) SLC6A5GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0345723-B1 Diethylenetriamine pentaacetic acid derivatives NIHON MEDIPHYSICS CO LTD (JP) 1994-05-25 EP disclosed
US-5250702-A Nonradioactive carriers for radioactive metal elements NIHON MEDI-PHYSICS CO., LTD. (JP) 1993-10-05 US disclosed
US-5094950-A Diagnostics NIHON MEDI-PHYSICS CO., LTD. (JP) 1992-03-10 US disclosed
EP-0345723-A2 Diethylenetriamine pentaacetic acid derivatives NIHON MEDI-PHYSICS CO., LTD. (JP) 1989-12-13 EP disclosed