SCHEMBL6096335

SCHEMBL6096335

O=C1c2ccccc2C(=O)N1NCCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ RPS6KA2 Q15349 1/20 0.36
▸ CASP1 P29466 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ NGFR P08138 1/20 0.35

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
SCHEMBL8873486 0.77 CYP1A2 (0.48) CYP1A2ALDH1A1KDM4EMAPTRAB9A
SCHEMBL11408828 0.76 NTRK1 (0.52) CYP1A2ALDH1A1KDM4EMAPTRAB9A
SCHEMBL13134034 0.76 CYP1A2 (0.47) CYP1A2ALDH1A1KDM4EMAPTRAB9A
SCHEMBL6520637 0.76 CYP1A2 (0.47) CYP1A2ALDH1A1KDM4EMAPTRAB9A
SCHEMBL31526985 0.76 CYP1A2 (0.47) CYP1A2ALDH1A1KDM4EMAPTRAB9A
SCHEMBL30297855 0.74 CYP1A2 (0.46) CYP1A2ALDH1A1KDM4EMAPTRAB9A
SCHEMBL28876218 0.74 CYP1A2 (0.42) CYP1A2ALDH1A1KDM4EMAPTRAB9A
SCHEMBL4079545 0.73 CYP1A2 (0.44) CYP1A2ALDH1A1KDM4EMAPTRAB9A
SCHEMBL4813089 0.73 MAPT (0.45) CYP1A2ALDH1A1KDM4EMAPTRAB9A
SCHEMBL6150350 0.72 ALDH1A1 (0.45) CYP1A2ALDH1A1KDM4EMAPTRAB9A

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-7108846-B1 Methods for preparing perfluorinated [18f]-radiolabelled nitroimidazole derivatives for cellular hypoxia detection UNIVERSITE CATHOLIQUE DE LOUVAN (BE) 2006-09-19 — — US disclosed
EP-1202945-B1 METHODS FOR PREPARING PERFLUORINATED [18 F]-RADIOLABELLED NITROIMIDAZOLE DERIVATIVES FOR CELLULAR HYPOXIA DETECTION UNIV CATHOLIQUE LOUVAIN (BE) 2005-08-17 — — EP disclosed
EP-1202945-A1 METHODS FOR PREPARING PERFLUORINATED [18 F]-RADIOLABELLED NITROIMIDAZOLE DERIVATIVES FOR CELLULAR HYPOXIA DETECTION UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2002-05-08 — — EP disclosed
WO-2001012575-A1 METHODS FOR PREPARING PERFLUORINATED [18F]-RADIOLABELLED NITROIMIDAZOLE DERIVATIVES FOR CELLULAR HYPOXIA DETECTION UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2001-02-22 — — WO disclosed
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