SCHEMBL6864543

SCHEMBL6864543

O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
CA12 O43570 6/20 0.38
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA9 Q16790 6/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
KAT6A Q92794 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
CA7 P43166 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HDAC1 Q13547 2/20 0.33
CBX7 O95931 1/20 0.33
CDYL2 Q8N8U2 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
SCHEMBL6856441 0.99 PTPN1 (0.39) PTPN1CA12CA1CA2CA9
Trifluoromethanesulfonic Acid SCHEMBL546703 0.88 PTPN1 (0.43) PTPN1CA12CA1CA2CA9
SCHEMBL4191335 0.87 CA2 (0.34) PTPN1CA12CA1CA2CA9
SCHEMBL482416 0.86 CA2 (0.35) PTPN1CA12CA1CA2CA9
Sulfuric Acid SCHEMBL5849612 0.82 PTPN1 (0.44) PTPN1CA12CA1CA2CA9
SCHEMBL3879944 0.81 PTPN1 (0.38) PTPN1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL686213 0.80 PTPN1 (0.56) PTPN1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL3877031 0.80 PTPN1 (0.39) PTPN1SMN1; SMN2KDM4EHPGDNPC1
Bromide SCHEMBL2515173 0.79 PTPN1 (0.54) PTPN1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL686323 0.79 PTPN1 (0.54) PTPN1SMN1; SMN2KDM4EHPGDNPC1

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-6800419-B2 FOR USE AS CHEMICALLY-AMPLIFIED RESIST FOR MICROFABRICATION UTILIZING DEEP ULTRAVIOLET RAYS AND EXHIBITS EXCELLENT FILM THICKNESS UNIFORMITY AND STORAGE STABILITY JSR CORPORATION (JP) 2004-10-05 US disclosed
US-20030203307-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2003-10-30 US disclosed