SCHEMBL7708749

SCHEMBL7708749

Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([O-])C(F)(F)C(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.35
CA9 Q16790 4/20 0.33
CA12 O43570 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
AGER Q15109 1/20 0.33
KCNH2 Q12809 1/20 0.32
FFAR1 O14842 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32
CCNA1 P78396 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 3/20 0.32
LMNA P02545 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
SCHEMBL7702718 1.00 GPR3 (0.35) GPR3CA9CA12CA1CA2
SCHEMBL7702833 0.94 AGER (0.36) GPR3CA9CA12CA1CA2
SCHEMBL7708207 0.91 GPR3 (0.34) GPR3CA9CA1CA2HTT
SCHEMBL7702806 0.86 HSD11B1 (0.38) CA1CA2SMN1; SMN2GAAALDH1A1
SCHEMBL7708768 0.84 AGER (0.35) GPR3CA9CA12CA1CA2
SCHEMBL7711392 0.84 MMP13 (0.33) HPGDALDH1A1
SCHEMBL7776984 0.84 GPR3 (0.33) GPR3CA9CA12CA1CA2
Trifluoromethanesulfonic Acid SCHEMBL1088679 0.84 GPR3 (0.47) GPR3CA9CA12CA1CA2
Trifluoromethanesulfonic Acid SCHEMBL36147 0.84 GPR3 (0.47) GPR3CA9CA12CA1CA2
SCHEMBL7708838 0.83 CYTH2 (0.35) HTTHPGDLMNAGAAALDH1A1

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-6358665-B1 ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE CLARIANT INTERNATIONAL LTD. (CH) 2002-03-19 US disclosed
EP-1033624-A1 RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE Clariant International Ltd. (CH) 2000-09-06 EP disclosed