SCHEMBL7548967

SCHEMBL7548967

C=CCOc1c(F)c(Oc2c(F)c(O)c([N+](=O)[O-])c(F)c2F)c(F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7549932 0.90
SCHEMBL7554174 0.88 MEN1 (0.33) MEN1KMT2A
SCHEMBL7797933 0.81 S100A4 (0.33)
SCHEMBL7788604 0.77 S100A4 (0.31)
SCHEMBL7552870 0.73 MGMT (0.40) MEN1KMT2A
SCHEMBL9566659 0.73 MEN1 (0.32) MEN1KMT2A
SCHEMBL7797309 0.69 MAPT (0.36) MEN1KMT2A
SCHEMBL8083283 0.68 ALDH1A1 (0.40) MEN1KMT2A
SCHEMBL8083287 0.68 ALDH1A1 (0.40) MEN1KMT2A
SCHEMBL8518205 0.67 ALOX15 (0.39) MEN1KMT2A

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-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
EP-0905121-A1 o-nitro(thio)phenol compounds and their preparation SIEMENS AKTIENGESELLSCHAFT (DE) 1999-03-31 EP disclosed