SCHEMBL7548709

SCHEMBL7548709

O=[N+]([O-])c1ccc(Oc2c(F)c(F)c([N+](=O)[O-])c(F)c2F)cc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
PTGES O14684 1/20 0.42
CYP19A1 P11511 1/20 0.41
CTSV O60911 3/20 0.41
CTSL P07711 3/20 0.41
PIN1 Q13526 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.40
MYC P01106 1/20 0.40
MAX P61244 1/20 0.40
BACE1 P56817 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
AR P10275 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39

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
SCHEMBL7554986 0.93 BACE1 (0.41) MEN1KMT2ANPC1RAB9AATM
SCHEMBL4623468 0.92 MEN1 (0.45) MEN1KMT2ANPC1RAB9AATM
SCHEMBL7795531 0.88 CTSV (0.43) MEN1KMT2ANPC1RAB9AATM
SCHEMBL7795079 0.86 MEN1 (0.40) MEN1KMT2ANPC1RAB9AATM
SCHEMBL7552860 0.85 MEN1 (0.53) MEN1KMT2ANPC1RAB9AATM
SCHEMBL7794998 0.84 MEN1 (0.47) MEN1KMT2ANPC1RAB9AATM
SCHEMBL646471 0.83 MEN1 (0.54) MEN1KMT2ANPC1RAB9AATM
SCHEMBL30061165 0.83 MEN1 (0.54) MEN1KMT2ANPC1RAB9AATM
SCHEMBL27581338 0.83 MEN1 (0.51) MEN1KMT2ANPC1RAB9AATM
SCHEMBL7652479 0.82 MAPT (0.43) MEN1KMT2ANPC1RAB9AATM

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