SCHEMBL3947658

SCHEMBL3947658

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.36
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
GPR3 P46089 2/20 0.33
PTPN1 P18031 1/20 0.33
ABCC9 O60706 2/20 0.32
ABCC8 Q09428 2/20 0.32
KCNJ11 Q14654 2/20 0.32
KCNJ8 Q15842 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
PDK1 Q15118 2/20 0.32
PDK2 Q15119 2/20 0.32
PDK3 Q15120 2/20 0.32
PDK4 Q16654 2/20 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
SCHEMBL2058746 0.88 CA2 (0.40) HSD11B1CA1CA2
Trifluoromethanesulfonic Acid SCHEMBL443422 0.84 GPR3 (0.46) HSD11B1CA1CA2GPR3PTPN1
SCHEMBL217001 0.75 GPR3 (0.36) HSD11B1CA1CA2GPR3PTPN1
SCHEMBL2058552 0.74 MAPK1 (0.36) CYP3A4CYP2D6TSHRKMT2A
Iodide SCHEMBL9005402 0.72 MAPK1 (0.35) CYP3A4CYP2D6TSHRKMT2A
SCHEMBL2241309 0.70 ALDH1A1 (0.35) HSD11B1CA1CA2TSHRPDK1
Potassium Ion SCHEMBL2497074 0.70 CA2 (0.42) CA1CA2
SCHEMBL2499934 0.70 CA2 (0.44) CA1CA2MEN1TSHRKMT2A
SCHEMBL220146 0.69 PTPN1 (0.32) HSD11B1CA1CA2GPR3PTPN1
SCHEMBL3944754 0.69 PTPN1 (0.32) HSD11B1CA1CA2GPR3PTPN1

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
WO-2009019574-A1 PHOTORESIST COMPOSITION FOR DEEP UV AND PROCESS THEREOF AZ ELECTRONIC MATERIALS USA CORP. (DE) 2009-02-12 WO disclosed