SCHEMBL30725512

SCHEMBL30725512

O=C(O)CN1CCN(CC(=O)O)CCN(Cc2cc(C(=O)OCc3ccccc3)cc[n+]2[O-])CCN(CC(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 1/20 0.43
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 6/20 0.43
TDP1 Q9NUW8 3/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
LMNA P02545 7/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 4/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PRMT1 Q99873 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40
MAPK1 P28482 2/20 0.40
THRB P10828 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL22390117 1.00 JMJD6 (0.43) JMJD6ALDH1A1KMT2ATDP1SLC6A2
SCHEMBL22402308 0.89 KMT2A (0.45) JMJD6ALDH1A1KMT2ATDP1SLC6A2
SCHEMBL22390128 0.84 LMNA (0.44) ALDH1A1KMT2ATDP1SLC6A2SLC6A3
SCHEMBL22390134 0.82 MEN1 (0.42) ALDH1A1KMT2ALMNASMN1; SMN2MEN1
SCHEMBL30725560 0.82 MEN1 (0.42) ALDH1A1KMT2ALMNASMN1; SMN2MEN1
SCHEMBL30218416 0.81 SLC6A9 (0.41) ALDH1A1KMT2ALMNASMN1; SMN2MEN1
SCHEMBL21043971 0.81 SLC6A9 (0.41) ALDH1A1KMT2ALMNASMN1; SMN2MEN1
SCHEMBL30725546 0.81 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1HSD17B10RAB9A
SCHEMBL22390121 0.81 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1HSD17B10RAB9A
SCHEMBL22390144 0.81 JMJD6 (0.39) JMJD6ALDH1A1KMT2ASMN1; SMN2MEN1

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
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-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