SCHEMBL4941537

SCHEMBL4941537

O=S(=O)([O-])C(F)(F)C(F)(F)Oc1ccccc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.33
PTPN1 P18031 1/20 0.33
GPR3 P46089 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SOS1 Q07889 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
RORC P51449 2/20 0.30
NR1I2 O75469 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 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
SCHEMBL29745863 0.83 GPR3 (0.40) PTPN1GPR3CA1CA2CA9
SCHEMBL217003 0.80 GPR3 (0.38) PTPN1GPR3CA1CA2CA9
SCHEMBL2436314 0.80 GPR3 (0.38) PTPN1GPR3CA1CA2CA9
SCHEMBL546819 0.80 GPR3 (0.42) PTPN1GPR3CA1CA2CA9
SCHEMBL3831739 0.79 PTPN1 (0.31) PTPN1GPR3
Trifluoromethanesulfonic Acid SCHEMBL37032 0.77 GPR3 (0.50) PTPN1GPR3CA1CA2CA9
Trifluoromethanesulfonic Acid SCHEMBL31155703 0.77 GPR3 (0.50) PTPN1GPR3CA1CA2CA9
SCHEMBL546606 0.77 GPR3 (0.36) PTPN1GPR3CA1CA2CA9
Trifluoromethanesulfonic Acid SCHEMBL51417 0.76 SOS1 (0.46) NR3C1PTPN1GPR3KMT2ASOS1
Trifluoromethanesulfonic Acid SCHEMBL64048 0.76 GPR3 (0.37) NR3C1PTPN1GPR3RORCKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080187868-A1 Photoactive Compounds AZ ELECTRONIC MATERIALS USA CORP. 2008-08-07 US disclosed