SCHEMBL8466528

SCHEMBL8466528

O=C(CF)Nc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
MAPT P10636 6/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
HTT P42858 4/20 0.54
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPK1 P28482 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47

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
SCHEMBL27625364 0.88 LMNA (0.66) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL18147762 0.83 MAPT (0.62) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL18147758 0.83 MAPT (0.62) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL30725831 0.81 HTT (0.60) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL8462703 0.81 HTT (0.60) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL9836357 0.81 MAPT (0.57) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL27470288 0.81 ALDH1A1 (0.59) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL27137471 0.81 KMT2A (0.69) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL25433021 0.79 RORC (0.60) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL3004695 0.79 HTT (0.69) ALDH1A1MAPTMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734363-B1 FLUORINATION PROCESS F2 CHEMICALS LIMITED (GB) 1999-07-21 EP disclosed
US-5900502-A Fluorination process BNFL FLUOROCHEMICALS LIMITED (GB) 1999-05-04 US disclosed
US-4766243-A Electrophilic fluorination of aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1988-08-23 US disclosed