SCHEMBL7401355

SCHEMBL7401355

CCC(Cc1ccccc1)c1cc(O)c(Cc2cccc(CS(=O)(=O)c3cn(C)cn3)c2C2CC2)c(=O)o1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
SLC6A9 P48067 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TRIM24 O15164 1/20 0.30

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
SCHEMBL8808457 0.84
SCHEMBL7401357 0.79 SLC6A9 (0.34) KMT2APOLBSLC6A9LMNAMEN1
SCHEMBL7444384 0.72 PARP1 (0.40) KMT2APOLBSLC6A9LMNAMEN1
SCHEMBL7397944 0.71 ADRA1A (0.38) KMT2APOLBSLC6A9LMNAMEN1
SCHEMBL9274872 0.70 KCNJ6 (0.33)
SCHEMBL7402524 0.67 CTSL (0.31)
SCHEMBL8813932 0.66 LMNA (0.46) KMT2APOLBSLC6A9LMNAMEN1
SCHEMBL9199293 0.64 HTR2B (0.43) POLBKDM4E
SCHEMBL6174501 0.64 L3MBTL1 (0.36) KMT2ALMNAMEN1L3MBTL1KDM4E
SCHEMBL7405278 0.64 CYSLTR2 (0.32)

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
WO-1995030670-A2 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-16 WO claimed