SCHEMBL6832945

SCHEMBL6832945

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
GRIN2D O15399 3/20 0.42
GRIN3B O60391 3/20 0.42
GRIN1 Q05586 3/20 0.42
GRIN2A Q12879 3/20 0.42
GRIN2B Q13224 3/20 0.42
GRIN2C Q14957 3/20 0.42
GRIN3A Q8TCU5 3/20 0.42
TDP1 Q9NUW8 5/20 0.40
ALDH1A1 P00352 3/20 0.40
PKM P14618 2/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34

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 0.91 SMN1; SMN2 (0.43) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7970186 0.91 SMN1; SMN2 (0.43) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28695104 0.86 SMN1; SMN2 (0.46) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27415999 0.83 SMN1; SMN2 (0.38) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28694251 0.82 SMN1; SMN2 (0.46) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1202914 0.82 SMN1; SMN2 (0.47) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27565467 0.82 SMN1; SMN2 (0.47) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27369811 0.80 SMN1; SMN2 (0.63) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27576427 0.80 SMN1; SMN2 (0.63) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28378850 0.80 ALDH1A1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6746722-B2 EXPOSING POLYMER AND PHOTOACID GENERATOR WITH A LIGHT OF 180 NM OR LESS WAVELENGTH, AND CONDUCTING BAKING AND DEVELOPMENT. NEC CORPORATION (JP) 2004-06-08 US disclosed
US-20030036618-A1 Fluorine-containing phenylmaleimide derivative, polymer, chemically amplified resist composition, and method for pattern formation using the composition NEC CORPORATION (JP) 2003-02-20 US disclosed
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
US-5756834-A SELECTIVE REPLACEMENT OF HYDROGEN ATOMS IN REACTION MEDIUM CONTAINING POLYFLUOROALKANESULFONIC ACIDS HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-26 US disclosed
EP-0773210-A1 Process for the preparation of fluorinated aromatic compounds HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-14 EP disclosed