SCHEMBL13890884

SCHEMBL13890884

CCc1ccccc1-c1cccc(I)c1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 1/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ CSNK2A3 Q8NEV1 1/20 0.39
▸ PDCD1 Q15116 1/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ GABRA1 P14867 3/20 0.39
▸ GABRB2 P47870 3/20 0.39
▸ DHFR P00374 1/20 0.37
▸ KCNN4 O15554 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ IDO1 P14902 2/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL23334013 0.84 CSNK2A2 (0.43) CSNK2A2CSNK2BCSNK2A1CSNK2A3GABRA1
SCHEMBL8346814 0.81 GABRA1 (0.46) GABRA1GABRB2CYP2D6TAAR1PDK2
SCHEMBL8537937 0.80 P2RX7 (0.45) CSNK2A2CSNK2BCSNK2A1CSNK2A3PDCD1
SCHEMBL198461 0.78 CSNK2A2 (0.52) CSNK2A2CSNK2BCSNK2A1CSNK2A3GABRA1
SCHEMBL6546844 0.77 CD274 (0.43) CSNK2A2CSNK2BCSNK2A1CSNK2A3PDCD1
SCHEMBL2776956 0.76 CSNK2A2 (0.50) CSNK2A2CSNK2BCSNK2A1CSNK2A3GABRA1
Ethane SCHEMBL3687850 0.76 CSNK2A2 (0.50) CSNK2A2CSNK2BCSNK2A1CSNK2A3GABRA1
SCHEMBL11382359 0.76 CSNK2A2 (0.50) CSNK2A2CSNK2BCSNK2A1CSNK2A3GABRA1
SCHEMBL6546352 0.74 DPP4 (0.37) CSNK2A2CSNK2BCSNK2A1CSNK2A3PDCD1
SCHEMBL172963 0.74 — —

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
EP-2042508-A1 Organic electroluminescence device FUJIFILM Corporation (JP) 2009-04-01 — — EP disclosed
Send feedback