SCHEMBL28431822

SCHEMBL28431822

CCCCNC(=O)c1ccc(CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ EPHX2 P34913 2/20 0.44
▸ LMNA P02545 3/20 0.42
▸ CXCR3 P49682 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ EPAS1 Q99814 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NAAA Q02083 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
SCHEMBL16631776 0.89 EPHX2 (0.44) KDM4EEPHX2LMNAMAPK1NAMPT
SCHEMBL28897043 0.83 KDM4E (0.47) KDM4EPOLBCYP2D6CYP2C19LMNA
SCHEMBL28440089 0.80 NAAA (0.50) KDM4EPOLBCYP2D6CYP2C19SMN1; SMN2
SCHEMBL28443185 0.80 NAAA (0.50) KDM4EPOLBCYP2D6CYP2C19SMN1; SMN2
SCHEMBL22402313 0.77 SMN1; SMN2 (0.40) LMNAMAPK1SMN1; SMN2ALDH1A1GAA
SCHEMBL9377535 0.77 HDAC6 (0.51) EPHX2LMNAMAPK1NAMPTHIF1A
SCHEMBL22390126 0.76 LMNA (0.42) LMNAMAPK1SMN1; SMN2HDAC6ALDH1A1
SCHEMBL22402305 0.74 SMN1; SMN2 (0.45) KDM4ELMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL25701780 0.73 HIF1A (0.47) CXCR3HIF1AEPAS1HDAC6
SCHEMBL22390138 0.73 SMN1; SMN2 (0.44) KDM4EPOLBLMNAMAPK1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111511728-A Compound for separating rare earth elements and s, p, d metals, separation method and use thereof 有机生物化学公司 2020-08-07 — — 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-111511728-A Compound for separating rare earth elements and s, p, d metals, separation method and use thereof 有机生物化学公司 2020-08-07 — — CN disclosed
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