SCHEMBL16010683

SCHEMBL16010683

O=C(NC1CCCC1)C1CCC(Cn2c(=O)c3ccccc3n(Cc3cc(=O)n4ccccc4n3)c2=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ HPGD P15428 3/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ POLB P06746 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TNKS O95271 3/20 0.46
▸ TNKS2 Q9H2K2 3/20 0.46
▸ ADORA3 P0DMS8 2/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ CYP3A4 P08684 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
SCHEMBL15462269 0.87 TNKS (0.61) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL12549643 0.82 TP53 (0.59) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL13574150 0.80 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL14960024 0.75 ALDH1A1 (0.64) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL12549503 0.74 TNKS (0.59) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL12571746 0.73 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL12549588 0.73 ALDH1A1 (0.61) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL13574158 0.70 HPGD (0.53) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL11949810 0.65 MAPK10 (0.57) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL6716039 0.64 METTL3 (0.55) KDM4EALDH1A1HPGDKMT2ARXFP1

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-20140255426-A1 WNT PATHWAY INHIBITORS FOR TREATING VIRAL INFECTIONS EMORY UNIVERSITY (US) 2014-09-11 — — US disclosed
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