SCHEMBL30218447

SCHEMBL30218447

Cc1cc[n+]([O-])c(CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
TGM2 P21980 1/20 0.39
LMNA P02545 1/20 0.38
SLC6A9 P48067 1/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DRD4 P21917 3/20 0.37
DRD2 P14416 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL21043981 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL30218426 0.85 SLC6A9 (0.45) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL21043964 0.85 SLC6A9 (0.45) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL21043971 0.84 SLC6A9 (0.41) ALDH1A1MEN1KMT2ATGM2LMNA
SCHEMBL30218416 0.84 SLC6A9 (0.41) ALDH1A1MEN1KMT2ATGM2LMNA
SCHEMBL21044052 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2APOLBTGM2
SCHEMBL30218417 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2APOLBTGM2
SCHEMBL22390141 0.78 ALDH1A1 (0.43) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL22390144 0.78 JMJD6 (0.39) ALDH1A1MEN1KMT2APOLBTGM2
SCHEMBL30725487 0.78 ALDH1A1 (0.43) ALDH1A1MEN1KMT2APOLBLMNA

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
CN-111511728-B Compound for separating rare earth elements and s, p, d metals, separation method and use thereof 有机生物化学公司 2023-12-08 CN claimed
CN-115836137-A Separation of rare earth elements 阳光科技公司 2023-03-21 CN claimed
EP-4127255-A1 SEPARATION OF RARE EARTH ELEMENTS SHINE Technologies, LLC (US) 2023-02-08 EP claimed
CN-111511728-B Compound for separating rare earth elements and s, p, d metals, separation method and use thereof 有机生物化学公司 2023-12-08 CN disclosed
CN-115836137-A Separation of rare earth elements 阳光科技公司 2023-03-21 CN disclosed
EP-4127255-A1 SEPARATION OF RARE EARTH ELEMENTS SHINE Technologies, LLC (US) 2023-02-08 EP disclosed