SCHEMBL7554174

SCHEMBL7554174

C=CCOc1c(F)c(O)c(F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CTDSP1 Q9GZU7 1/20 0.32
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 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
SCHEMBL7548967 0.88 MEN1 (0.31) MEN1KMT2A
SCHEMBL7549932 0.82
SCHEMBL9566659 0.75 MEN1 (0.32) MEN1KMT2ACTDSP1
SCHEMBL7552870 0.73 MGMT (0.40) MEN1KMT2A
SCHEMBL7794447 0.72 S100A4 (0.40) MEN1KMT2A
SCHEMBL10336944 0.72 MGAM (0.33) PTGS1PTGS2
SCHEMBL1680978 0.70 HTR2C (0.39) MEN1KMT2ACTDSP1
SCHEMBL25355025 0.68 S100A4 (0.38) MEN1KMT2A
SCHEMBL8086823 0.66 S100A4 (0.39) MEN1KMT2A
SCHEMBL7797933 0.66 S100A4 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11171841-A None JP disclosed
EP-0905121-B1 o-nitro(thio)phenol compounds and their preparation INFINEON TECHNOLOGIES AG (DE) 2002-07-03 EP disclosed
US-6320081-B1 SUITABLE FOR PREPARATION OF SELECTED O-AMINOPHENOLS OR O-AMINOTHIOPHENOLS OF HIGH ISOMER PURITY AND STABILITY TO OXIDATION; MONOMERS FOR PREPARATION OF POLYBENZOTHIAZOLE OR POLYBENZOXAZOLE PRECURSORS INFINEON TECHNOLOGIES AG (DE) 2001-11-20 US disclosed
JP-H11171841-A ORTHO-NITRO(THIO)PHENOL DERIVATIVE AND ITS PRODUCTION SIEMENS AG 1999-06-29 JP disclosed
EP-0905121-A1 o-nitro(thio)phenol compounds and their preparation SIEMENS AKTIENGESELLSCHAFT (DE) 1999-03-31 EP disclosed