SCHEMBL3200971

SCHEMBL3200971

COc1c(C)cccc1[S+](c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
SCN4A P35499 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.33
CA4 P22748 1/20 0.32
TSHR P16473 2/20 0.32
ACHE P22303 1/20 0.32
KMT2A Q03164 2/20 0.32
HTR1A P08908 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
MEN1 O00255 1/20 0.32
SCN8A Q9UQD0 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE4A P27815 1/20 0.32

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
SCHEMBL3191907 0.81 NFE2L2 (0.45) SMN1; SMN2ALDH1A1CA4TSHRNFE2L2
SCHEMBL3195572 0.81 SCN4A (0.32) SMN1; SMN2ALDH1A1SCN4AL3MBTL1
SCHEMBL3206333 0.80 CA1 (0.43) SMN1; SMN2KDM4EALDH1A1MAPK1POLB
SCHEMBL423504 0.78 TSHR (0.43) ALDH1A1TSHRACHELMNACYP1A2
SCHEMBL3203332 0.76 TRPA1 (0.38) SMN1; SMN2ALDH1A1POLBTSHRACHE
Bromide SCHEMBL3135269 0.76 TSHR (0.41) ALDH1A1TSHRACHELMNACYP1A2
Iodide SCHEMBL6129788 0.76 TSHR (0.41) ALDH1A1TSHRACHELMNACYP1A2
Bromide SCHEMBL31555343 0.76 TSHR (0.41) ALDH1A1TSHRACHELMNACYP1A2
SCHEMBL3200916 0.75 NFE2L2 (0.33) SMN1; SMN2KDM4EALDH1A1MAPK1CA4
SCHEMBL7112092 0.75 ALDH1A1 (0.34) SMN1; SMN2KDM4EALDH1A1MAPK1SCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8206888-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2012-06-26 US disclosed
US-20100028800-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-02-04 US disclosed
EP-1953593-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-08-06 EP disclosed
US-7060414-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-06-13 US disclosed
US-20050158657-A1 Radiation-sensitive resin composition SUZUKI AKI (JP) 2005-07-21 US disclosed
US-6899989-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-05-31 US disclosed
US-20020090569-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2002-07-11 US disclosed