SCHEMBL10027652

SCHEMBL10027652

CCOC(=O)c1ccc(CN2C(=O)c3cccc4c(Cl)ccc(c34)C2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC10 Q969S8 1/20 0.54
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
POLB P06746 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 5/20 0.49
CYP1A2 P05177 2/20 0.49
TSHR P16473 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 2/20 0.49

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
SCHEMBL15744698 0.86 KDM4E (0.57) LMNAKDM4EALDH1A1HDAC3HDAC1
SCHEMBL916911 0.83 KMT2A (0.65) LMNAKDM4EALDH1A1HDAC1MEN1
SCHEMBL14015910 0.81 MEN1 (0.47) LMNAKDM4EALDH1A1HDAC3HDAC1
SCHEMBL10819259 0.80 PIN1 (0.68) LMNAKDM4EALDH1A1MEN1KMT2A
SCHEMBL14635730 0.77 KDM4E (0.63) LMNAKDM4EALDH1A1MEN1KMT2A
SCHEMBL28545988 0.76 CYP1B1 (0.66) LMNAALDH1A1HDAC3HDAC1HDAC2
SCHEMBL10819260 0.76 ALDH1A1 (0.60) LMNAKDM4EALDH1A1HDAC1HDAC6
SCHEMBL18537445 0.76 HDAC1 (0.60) LMNAKDM4EALDH1A1HDAC3HDAC1
SCHEMBL30153490 0.75 ALDH1A1 (1.00) LMNAKDM4EALDH1A1MEN1KMT2A
SCHEMBL6347785 0.75 ALDH1A1 (1.00) LMNAKDM4EALDH1A1MEN1KMT2A

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
US-8097725-B2 Luminescent indicator dye and optical sensor ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2012-01-17 US disclosed
EP-1817290-B1 LUMINESCENT INDICATOR DYE AND OPTICAL SENSOR ROCHE DIAGNOSTICS GMBH (DE) 2008-11-12 EP disclosed