SCHEMBL30725487

SCHEMBL30725487

CC(C)(C)NC(=O)c1cc[n+]([O-])c(CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
SLC6A9 P48067 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ACKR3 P25106 1/20 0.35
CACNA1H O95180 1/20 0.35
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34

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
SCHEMBL22390141 1.00 ALDH1A1 (0.43) ALDH1A1LMNAPKMMEN1KMT2A
SCHEMBL22402307 0.88 ALDH1A1 (0.41) ALDH1A1LMNAPKMMEN1KMT2A
SCHEMBL21043971 0.83 SLC6A9 (0.41) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL30218416 0.83 SLC6A9 (0.41) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL22390138 0.82 SMN1; SMN2 (0.44) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL30725524 0.82 SMN1; SMN2 (0.44) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL22390121 0.81 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHDAC6
SCHEMBL30725546 0.81 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHDAC6
SCHEMBL22390142 0.80 NAAA (0.44) ALDH1A1LMNASMN1; SMN2POLBMAPT
SCHEMBL22390149 0.80 NAAA (0.44) ALDH1A1LMNASMN1; SMN2POLBMAPT

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