SCHEMBL8347522

SCHEMBL8347522

CCN(CC)c1ccc(CNCCNC(=O)c2ccccc2O)c(O)c1.[Co]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL8347518 0.82 KMT2A (0.46) NAAAKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL8344108 0.79 CA12 (0.66) NAAAKMT2AMEN1NPC1MAPT
SCHEMBL8347813 0.78 CA12 (0.64) NAAAKMT2AMEN1NPC1MAPT
SCHEMBL8346506 0.77 SLC6A5 (0.52) KMT2AMEN1SMN1; SMN2L3MBTL1NPC1
SCHEMBL18671198 0.76 SMN1; SMN2 (0.72) NAAAKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL8343451 0.76 MAPT (0.52) KMT2AMEN1SMN1; SMN2L3MBTL1NPC1
SCHEMBL11922782 0.74 LMNA (0.43) KMT2AMEN1SMN1; SMN2L3MBTL1MAPT
SCHEMBL5707054 0.71 HTT (0.69) NAAAKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL31119121 0.71 HTT (0.69) NAAAKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL31119120 0.71 HTT (0.69) NAAAKMT2AMEN1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5969171-A Metal complexes as bleach activators CLARIANT GMBH (DE) 1999-10-19 — — US disclosed
Send feedback