SCHEMBL546401

SCHEMBL546401

CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.COC(=O)OS(=O)(=O)C(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 4/20 0.39
RECQL P46063 2/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 4/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
POLB P06746 2/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SLC1A2 P43004 1/20 0.34
EPHX2 P34913 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL547017 0.89 BCAT1 (0.36) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL3024911 0.76 LMNA (0.31) ALDH1A1LMNA
SCHEMBL8829560 0.76 TSHR (0.38) ALDH1A1RAB9ARECQLNPC1MEN1
SCHEMBL546400 0.75 KCNN4 (0.38) ALDH1A1RAB9ARECQLNPC1MEN1
SCHEMBL30441277 0.74 ALDH1A1 (0.41) ALDH1A1RAB9ARECQLNPC1MAPT
SCHEMBL2799713 0.73 TSHR (0.38) ALDH1A1RAB9ARECQLNPC1MEN1
SCHEMBL1477345 0.73 ALDH1A1 (0.40) ALDH1A1RAB9ARECQLNPC1MEN1
SCHEMBL2286473 0.73 ALDH1A1 (0.40) ALDH1A1RAB9ARECQLNPC1MEN1
SCHEMBL107752 0.72 TSHR (0.44) ALDH1A1RAB9ARECQLNPC1MEN1
SCHEMBL244777 0.72 TSHR (0.44) ALDH1A1RAB9ARECQLNPC1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146247-B1 Resist patterning process and manufacturing photo mask SHINETSU CHEMICAL CO (JP) 2015-04-15 EP disclosed
US-8110335-B2 Resist patterning process and manufacturing photo mask SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-02-07 US disclosed
EP-2146247-A1 Resist patterning process and manufacturing photo mask Shin-Etsu Chemical Co., Ltd. (JP) 2010-01-20 EP disclosed
US-20100009271-A1 Resist patterning process and manufacturing photo mask SHIN-ETSU CHEMICAL CO., LTD (JP) 2010-01-14 US disclosed