SCHEMBL10050665

SCHEMBL10050665

COc1ccc(OC)c2c(=O)c3cc(Cl)ccc3sc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
PIM1 P11309 5/20 0.46
PIM2 Q9P1W9 4/20 0.46
MAPT P10636 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
CYP1A2 P05177 2/20 0.46
HPGD P15428 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
THRB P10828 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL10050666 0.82 NPC1 (0.44) KDM4EPIM1PIM2MAPTNPC1
SCHEMBL1614175 0.80 MAPT (0.64) KDM4EMAPTNPC1RAB9ACYP1A2
SCHEMBL16339385 0.76 KDM4E (0.49) KDM4EPIM1PIM2MAPTNPC1
SCHEMBL30163607 0.76 KDM4E (0.49) KDM4EPIM1PIM2MAPTNPC1
SCHEMBL29936552 0.75 MAPT (0.58) KDM4EMAPTNPC1RAB9ACYP1A2
SCHEMBL13798431 0.75 MAPT (0.58) KDM4EMAPTNPC1RAB9ACYP1A2
SCHEMBL16527543 0.74 KDM4E (0.69) KDM4EPIM1MAPTNPC1RAB9A
SCHEMBL7591108 0.73 KDM4E (0.49) KDM4EPIM1PIM2MAPTADRA1A
SCHEMBL6070119 0.73 KDM4E (0.81) KDM4EPIM1PIM2MAPTNPC1
SCHEMBL25556876 0.72 MAPT (0.58) KDM4EMAPTNPC1RAB9ACYP1A2

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-8097688-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2012-01-17 US disclosed
US-20100227076-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-09 US disclosed