SCHEMBL30725546

SCHEMBL30725546

O=C(O)CN1CCN(CC(=O)O)CCN(Cc2cc(C(=O)NCc3ccccc3)cc[n+]2[O-])CCN(CC(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
APOBEC3A P31941 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
PRKAA2 P54646 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL22390121 1.00 ALDH1A1 (0.49) ALDH1A1HTR1AHTR7MEN1KMT2A
SCHEMBL22402365 0.88 ALDH1A1 (0.47) ALDH1A1HTR1AHTR7MEN1KMT2A
SCHEMBL22390138 0.82 SMN1; SMN2 (0.44) ALDH1A1MEN1KMT2AHPGDRAB9A
SCHEMBL30725524 0.82 SMN1; SMN2 (0.44) ALDH1A1MEN1KMT2AHPGDRAB9A
SCHEMBL30218416 0.81 SLC6A9 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL21043971 0.81 SLC6A9 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL30725512 0.81 JMJD6 (0.43) ALDH1A1MEN1KMT2ARAB9AHSD17B10
SCHEMBL22390117 0.81 JMJD6 (0.43) ALDH1A1MEN1KMT2ARAB9AHSD17B10
SCHEMBL22390141 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHDAC6
SCHEMBL30725487 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHDAC6

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