SCHEMBL8717271

SCHEMBL8717271

O=S(=O)([O-])c1ccc2c3ccccc3[s+](C(F)(F)C(F)(F)F)c2c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PARP1 P09874 1/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.30
APOBEC3A P31941 1/20 0.30
CASP6 P55212 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
PTPN1 P18031 1/20 0.30
DUSP5 Q16690 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
SCHEMBL8715628 0.90
SCHEMBL8719071 0.89 CA1 (0.30)
SCHEMBL356010 0.88 LMNA (0.33) LMNATDP1PARP1KMT2APOLB
Trifluoromethanesulfonic Acid SCHEMBL5690034 0.84 GPR3 (0.42) PTPN1
SCHEMBL6757022 0.80 KIF11 (0.31)
Trifluoromethanesulfonic Acid SCHEMBL5691973 0.74 GPR3 (0.39)
Trifluoromethanesulfonic Acid SCHEMBL8715402 0.73 GPR3 (0.38)
Trifluoromethanesulfonic Acid SCHEMBL29483957 0.70 GPR3 (0.44) PTPN1
Trifluoromethanesulfonic Acid SCHEMBL115549 0.70 GPR3 (0.44) PTPN1
SCHEMBL11681994 0.67 TDP1 (0.48) LMNATDP1PARP1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647638-B1 (HALOALKYL)DIBENZO-ONIUM SULFONATE, PROCESS FOR PRODUCING THE SAME, AND HALOALKYLATING AGENT AND METHOD DAIKIN IND LTD (JP) 1998-10-07 EP disclosed
US-5569771-A (Haloalkyl) dibenzooniumsulfonate and its production methods; and a haloalkylating agent and haloalkylating methods DAIKIN INDUSTRIES LTD. (JP) 1996-10-29 US disclosed
EP-0647638-A1 (HALOALKYL)DIBENZO-ONIUM SULFONATE, PROCESS FOR PRODUCING THE SAME, AND HALOALKYLATING AGENT AND METHOD DAIKIN INDUSTRIES, LIMITED (JP) 1995-04-12 EP disclosed