SCHEMBL7970186

SCHEMBL7970186

COc1c(F)c(F)c([N+](=O)[O-])c(OC)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
GRIN2D O15399 3/20 0.41
GRIN3B O60391 3/20 0.41
GRIN1 Q05586 3/20 0.41
GRIN2A Q12879 3/20 0.41
GRIN2B Q13224 3/20 0.41
GRIN2C Q14957 3/20 0.41
GRIN3A Q8TCU5 3/20 0.41
TDP1 Q9NUW8 5/20 0.38
ALDH1A1 P00352 3/20 0.38
PKM P14618 2/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MCL1 Q07820 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 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
SCHEMBL30695143 0.92 SMN1; SMN2 (0.43) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6832945 0.91 SMN1; SMN2 (0.46) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28695104 0.83 SMN1; SMN2 (0.46) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28694251 0.83 SMN1; SMN2 (0.46) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31159666 0.82 SMN1; SMN2 (0.40) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31436639 0.79 SMN1; SMN2 (0.40) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5621536 0.78 SMN1; SMN2 (0.51) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27640077 0.78 SMN1; SMN2 (0.47) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1202914 0.78 SMN1; SMN2 (0.47) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27369811 0.77 SMN1; SMN2 (0.63) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6229055-B1 SYNTHESIS OF FLUORINATED RESORCINOL WHICH IS USEFUL IN THE PREPARATION OF FLUORINATED FLUORESCEIN AND RHODOL DYES SUITABLE FOR USE AS TRACERS, LABELS, OR INTERMEDIATES MOLECULAR PROBES, INC. 2001-05-08 US disclosed
US-6162931-A Fluorinated xanthene derivatives MOLECULAR PROBES, INC. (US) 2000-12-19 US disclosed