SCHEMBL1768313

SCHEMBL1768313

Fc1cccc(I)c1-c1ccccc1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.41
PDK2 Q15119 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ACHE P22303 1/20 0.37
AKR1A1 P14550 1/20 0.34
AKR1B1 P15121 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
C1R P00736 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
TTR P02766 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31

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
SCHEMBL1768598 0.84 PDK2 (0.38) KCNN4PDK2CA1CA2CA7
SCHEMBL22928191 0.83 TTR (0.37) KCNN4PDK2CA1CA2CA7
SCHEMBL23014060 0.78 KCNN4 (0.44) KCNN4ACHETAAR1NFE2L2NOTUM
SCHEMBL30790413 0.78 KCNN4 (0.44) KCNN4ACHETAAR1NFE2L2NOTUM
SCHEMBL1768471 0.77 MYC (0.42) KCNN4PDK2CA1CA2CA7
SCHEMBL19971952 0.77 TTR (0.44) PDK2ACHETTRCASP3SENP8
SCHEMBL18938488 0.77 KCNN4 (0.39) KCNN4PDK2CA1CA2CA7
SCHEMBL24625660 0.74 MYC (0.48) PDK2CA1CA2CA7CA9
SCHEMBL17563225 0.73 CA1 (0.42) KCNN4PDK2CA1CA2CA7
SCHEMBL1768307 0.73 ALDH1A1 (0.39) PDK2CA1CA2CA7CA9

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-2011061439-A1 CATALYTIC PHOSPHINATION METHOD UNIVERSITE DE STRASBOURG (FR) 2011-05-26 WO disclosed