SCHEMBL10050666

SCHEMBL10050666

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
HDAC4 P56524 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL10050665 0.82 KDM4E (0.49) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL1614175 0.77 MAPT (0.64) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL10050692 0.75 RNASEH1 (0.44) KMT2AMEN1MAPTCYP3A4HPGD
SCHEMBL16574376 0.74 PIM1 (0.36) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4473495 0.72 TDP1 (0.56) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2705508 0.70 KDM4E (0.44) NPC1RAB9AMAPTPIM1PIM2
SCHEMBL29353401 0.69 KDM4E (0.58) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL30612323 0.69 KDM4E (0.58) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL41594 0.69 KDM4E (0.58) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL21206935 0.69 MAPT (0.61) NPC1RAB9AKMT2AMEN1MAPT

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