SCHEMBL30725524

SCHEMBL30725524

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DRD3 P35462 1/20 0.38
NAAA Q02083 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL22390138 1.00 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2AMAPK1
SCHEMBL22390142 0.96 NAAA (0.44) SMN1; SMN2ALDH1A1POLBMAPTLMNA
SCHEMBL30725523 0.96 NAAA (0.44) SMN1; SMN2ALDH1A1POLBMAPTLMNA
SCHEMBL22390149 0.96 NAAA (0.44) SMN1; SMN2ALDH1A1POLBMAPTLMNA
SCHEMBL30725558 0.96 NAAA (0.44) SMN1; SMN2ALDH1A1POLBMAPTLMNA
SCHEMBL22402305 0.88 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AMAPK1
SCHEMBL22402304 0.84 NAAA (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL22402322 0.84 NAAA (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL22390126 0.84 LMNA (0.42) SMN1; SMN2ALDH1A1MEN1KMT2AMAPK1
SCHEMBL22390121 0.82 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ARAB9AHPGD

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