SCHEMBL17934346

SCHEMBL17934346

CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.53
▸ MGAM O43451 1/20 0.53
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ PIM2 Q9P1W9 1/20 0.51
▸ CISD1 Q9NZ45 4/20 0.51
▸ MAOB P27338 2/20 0.51
▸ THRB P10828 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ DUSP3 P51452 1/20 0.51
▸ PTPN5 P54829 1/20 0.51
▸ PTPN11 Q06124 1/20 0.51
▸ MCL1 Q07820 1/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.51
▸ SAE1 Q9UBE0 1/20 0.51
▸ UBA2 Q9UBT2 1/20 0.51

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
SCHEMBL4215334 0.91 KDM4E (0.55) PIM1MGAMCA12CA1CA2
SCHEMBL4828044 0.91 KDM4E (0.55) PIM1MGAMCA12CA1CA2
SCHEMBL7464201 0.83 CISD1 (0.71) MGAMCA12CA1CA2CA9
SCHEMBL8388794 0.83 CISD1 (0.71) MGAMCA12CA1CA2CA9
SCHEMBL11321794 0.83 CISD1 (0.71) MGAMCA12CA1CA2CA9
SCHEMBL12177140 0.81 CYP1A2 (0.53) PIM1PIM2CISD1MAOBKMT2A
SCHEMBL17934519 0.81 MYC (0.63) PIM1PIM2CISD1MAOBKMT2A
SCHEMBL12177689 0.81 AKR1B1 (0.60) CISD1MAOBMAOATDP1NPC1
SCHEMBL17934622 0.80 ALDH1A1 (0.60) PIM1PIM2THRBKMT2AMEN1
SCHEMBL4834121 0.78 AKR1B1 (0.61) CISD1MAOBKMT2AMEN1MAOA

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-2016115360-A1 C-MYC LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2016-07-21 — — WO disclosed
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