SCHEMBL27437787

SCHEMBL27437787

CC(=O)Oc1ccc2c(c1)[nH]c1ccc(C)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.61
GAA P10253 3/20 0.61
GLA P06280 2/20 0.61
KIF11 P52732 5/20 0.58
LMNA P02545 2/20 0.50
CA2 P00918 2/20 0.44
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ACHE P22303 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
GSK3B P49841 1/20 0.42
ADK P55263 1/20 0.42
HSD17B10 Q99714 2/20 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
SCHEMBL1181301 0.84 GAA (0.56) KDM4EGAAGLAKIF11LMNA
SCHEMBL1180269 0.83 KDM4E (0.61) KDM4EGAAGLAKIF11CA2
SCHEMBL27727218 0.80 KDM4E (0.63) KDM4EGAAGLAKIF11LMNA
7-Methoxy-3-Methylcarbazole SCHEMBL602038 0.80 KDM4E (0.67) KDM4EKIF11LMNAALDH1A1MEN1
7-Methoxy-3-Methylcarbazole SCHEMBL31214611 0.80 KDM4E (0.67) KDM4EKIF11LMNAALDH1A1MEN1
SCHEMBL27848144 0.79 KDM4E (0.52) KDM4EGAAGLAKIF11LMNA
SCHEMBL10141055 0.77 KIF11 (0.75) KDM4EGAAKIF11LMNAALDH1A1
SCHEMBL29726991 0.77 KIF11 (0.75) KDM4EGAAKIF11LMNAALDH1A1
SCHEMBL12986903 0.76 KDM4E (1.00) KDM4EGAAGLALMNACA2
SCHEMBL8352133 0.74 KDM4E (0.51) KDM4EGAAKIF11LMNAALDH1A1

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
EP-2247558-B2 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION LILLY CO ELI (US) 2024-07-03 EP disclosed