SCHEMBL3349136

SCHEMBL3349136

O=S(=O)(O[I+]c1ccccc1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.36
CA1 P00915 3/20 0.36
CA9 Q16790 2/20 0.36
CA5A P35218 1/20 0.36
GPR3 P46089 1/20 0.32
BCHE P06276 1/20 0.32
RIPK1 Q13546 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HTR6 P50406 1/20 0.31
DRD2 P14416 2/20 0.31
DRD1 P21728 2/20 0.31
DRD4 P21917 2/20 0.31
DRD5 P21918 2/20 0.31
DRD3 P35462 2/20 0.31
KMT2A Q03164 1/20 0.31
FAAH O00519 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL3347813 0.82 CA2 (0.39) CA2CA1CA9CA5ABCHE
SCHEMBL3686067 0.82 CA1 (0.42) CA2CA1CA9ALDH1A1TSHR
SCHEMBL3347595 0.81 MMP2 (0.35) GPR3ALDH1A1DRD2DRD1DRD4
SCHEMBL1516190 0.80 CA1 (0.40) CA2CA1CA9ALDH1A1TSHR
SCHEMBL2569584 0.80 PKM (0.41) CA2CA1CA9ALDH1A1KMT2A
SCHEMBL3354322 0.78 PTGS1 (0.38) CA2CA1CA9ALDH1A1DRD2
SCHEMBL2878803 0.77 KIF11 (0.33) DRD2DRD1DRD4DRD5DRD3
Trifluoromethanesulfonic Acid SCHEMBL7981398 0.73 GPR3 (0.43) GPR3
SCHEMBL2902966 0.72 LMNA (0.33) GPR3ALDH1A1DRD2KMT2A
SCHEMBL3346398 0.72 MEN1 (0.33) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010066357-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 WO disclosed
EP-1840650-B1 Positive type radiation-sensitive resin composition JSR CORP (JP) 2009-03-18 EP disclosed
EP-1840650-A1 Positive type radiation-sensitive resin composition JSR Corporation (JP) 2007-10-03 EP disclosed
EP-0284868-B1 Photoresist compositions MICROSI INC (US) 1995-05-03 EP disclosed
EP-0284868-A2 Photoresist compositions MicroSi, Inc. (a Delaware corporation) (US) 1988-10-05 EP disclosed