SCHEMBL5849458

SCHEMBL5849458

O=S(=O)([O-])c1ccccc1.c1ccc(Sc2ccccc2[S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.37

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
NSD2 O96028 1/20 0.37
MAPK1 P28482 1/20 0.37
SIRT1 Q96EB6 1/20 0.35
MMP8 P22894 2/20 0.34
MMP13 P45452 2/20 0.34
MMP3 P08254 1/20 0.34
ANXA2 P07355 1/20 0.33
S100A10 P60903 1/20 0.33
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
HTR1A P08908 2/20 0.32
HTR3A P46098 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
ALDH1A1 P00352 3/20 0.31
PDE7A Q13946 2/20 0.31
HPGD P15428 2/20 0.31

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
SCHEMBL5849481 0.92 TDP1 (0.39) MAPTKDM4ENSD2MAPK1MMP13
Trifluoromethanesulfonic Acid SCHEMBL5850147 0.85 PTGS1 (0.39) MAPTKDM4ENSD2MAPK1SIRT1
SCHEMBL298034 0.85 SIRT1 (0.40) MAPTKDM4ENSD2MAPK1SIRT1
SCHEMBL5849477 0.84 L3MBTL1 (0.35) MAPTKDM4ENSD2MAPK1SIRT1
Hydrochloric Acid SCHEMBL8980364 0.84 SIRT1 (0.39) MAPTKDM4ENSD2MAPK1SIRT1
SCHEMBL2634898 0.82 KCNH2 (0.43) CA2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL3201612 0.82 SIRT1 (0.40) MAPTKDM4ENSD2MAPK1SIRT1
SCHEMBL2903354 0.81 MMP13 (0.44) MAPTMMP8MMP13MMP3ANXA2
SCHEMBL29848318 0.79 SIRT1 (0.36) MAPTKDM4ENSD2MAPK1SIRT1
SCHEMBL5849960 0.79 PTGS1 (0.32) MAPTKDM4ENSD2MAPK1PTGS1

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-6984473-B2 Light blocking; amplified photoresist; acid generators; high density semiconductors MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 2006-01-10 US disclosed
US-20030152845-A1 Mask blank, protective film therefor and method of patterning mask blank MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 2003-08-14 US disclosed