SCHEMBL6031345

SCHEMBL6031345

CCn1c2c(c3ccccc31)CCCC2NCCCN1CCCC1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
CREBBP Q92793 1/20 0.43
PER2 O15055 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 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
SCHEMBL6032231 0.81 PRMT5 (0.43) KDM4EHSD17B10MAPK1L3MBTL1RAB9A
SCHEMBL6032136 0.80 MAPT (0.43) MAPK1L3MBTL1ABCB1ABCG2
SCHEMBL6031776 0.75 PRMT5 (0.44) KDM4EMAPK1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL6030382 0.72 PRMT5 (0.45) KDM4EALDH1A1HSD17B10MAPK1PER2
SCHEMBL6031507 0.72 PRMT5 (0.53) KDM4EALDH1A1MAPK1SMN1; SMN2L3MBTL1
SCHEMBL23469645 0.71 PER2 (0.60) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL23469602 0.67 PER2 (0.61) ALDH1A1PER2SMN1; SMN2L3MBTL1RAB9A
SCHEMBL13751537 0.65 KMT2A (0.44) ALDH1A1SMN1; SMN2KMT2AMALT1RAB9A
SCHEMBL5929386 0.64 MALT1 (0.64) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL23469524 0.64 PER2 (0.65) KDM4EALDH1A1MAPK1PER2KMT2A

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
EP-1678137-A1 COMPOSITIONS AND METHODS FOR VIRAL INHIBITION CHIRON CORPORATION (US) 2006-07-12 EP disclosed
WO-2005037791-A1 COMPOSITIONS AND METHODS FOR VIRAL INHIBITION CHIRON CORPORATION (US) 2005-04-28 WO disclosed