SCHEMBL12626950

SCHEMBL12626950

CC(C)(c1cccc(-c2nc(C(F)(F)F)n[nH]2)n1)c1cccc(-c2ccc(F)cc2F)n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 3/20 0.35
▸ ABCC8 Q09428 1/20 0.34
▸ KCNJ11 Q14654 1/20 0.34
▸ KMO O15229 1/20 0.32
▸ CTSA P10619 1/20 0.31
▸ IDH1 O75874 1/20 0.31
▸ IDH2 P48735 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ AGER Q15109 2/20 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
SCHEMBL17656054 0.90 HPGD (0.32) IDH1IDH2
SCHEMBL10056578 0.83 KMO (0.42) ALPLKMOCTSAIDH1IDH2
SCHEMBL12322371 0.81 ALPL (0.36) ALPLABCC8KCNJ11KMOCTSA
SCHEMBL27931261 0.78 NPC1 (0.45) ALPLKMO
SCHEMBL20414969 0.78 ALPL (0.37) ALPLABCC8KCNJ11KMO
SCHEMBL17077595 0.78 NPC1 (0.45) ALPLKMO
SCHEMBL20414974 0.77 ABCC8 (0.35) ALPLABCC8KCNJ11
SCHEMBL17077592 0.77 NPC1 (0.44) ALPL
SCHEMBL28864794 0.77 NPC1 (0.44) ALPLKMO
SCHEMBL27910618 0.77 NPC1 (0.44) ALPLKMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947383-B2 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2011-05-24 — — US disclosed
US-7947383-B2 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2011-05-24 — — US disclosed
US-20080001530-A1 Organic Electroluminescent Device UDC IRELAND LIMITED (IE) 2008-01-03 — — US disclosed
US-20080001530-A1 Organic Electroluminescent Device UDC IRELAND LIMITED (IE) 2008-01-03 — — US disclosed
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