SCHEMBL30218463

SCHEMBL30218463

Cc1cccc(CN2CCN(CC(=O)O)CCNCCN(CC(=O)O)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
KMT2A Q03164 3/20 0.43
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CSF1R P07333 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
FAAH O00519 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39

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
SCHEMBL21044036 1.00 CXCR4 (0.51) CXCR4SMN1; SMN2LMNAKDM5CKDM4C
SCHEMBL21044033 0.92 SMN1; SMN2 (0.49) CXCR4SMN1; SMN2LMNACHRM2CHRM1
SCHEMBL21044007 0.92 SMN1; SMN2 (0.49) CXCR4SMN1; SMN2LMNACHRM2CHRM1
SCHEMBL30218419 0.92 SMN1; SMN2 (0.49) CXCR4SMN1; SMN2LMNACHRM2CHRM1
SCHEMBL30218424 0.92 SMN1; SMN2 (0.49) CXCR4SMN1; SMN2LMNACHRM2CHRM1
SCHEMBL22729142 0.88 SMN1; SMN2 (0.52) CXCR4SMN1; SMN2LMNACHRM2CHRM1
SCHEMBL30023833 0.88 SMN1; SMN2 (0.52) CXCR4SMN1; SMN2LMNACHRM2CHRM1
SCHEMBL1089502 0.87 CXCR4 (0.65) CXCR4LMNAKDM5CKDM4CCHRM2
SCHEMBL17996820 0.87 CXCR4 (0.65) CXCR4LMNAKDM5CKDM4CCHRM2
SCHEMBL21044040 0.85 SMN1; SMN2 (0.44) SMN1; SMN2LMNACHRM2CHRM1CHRM3

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 5 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
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