SCHEMBL7554986

SCHEMBL7554986

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

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
CTSV O60911 3/20 0.40
CTSL P07711 3/20 0.40
MYC P01106 1/20 0.39
MAX P61244 1/20 0.39
MAPT P10636 3/20 0.39
PTGES O14684 1/20 0.39
CYP19A1 P11511 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL7548709 0.93 MEN1 (0.44) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL4623468 0.87 MEN1 (0.45) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL7795531 0.85 CTSV (0.43) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL7795079 0.82 MEN1 (0.40) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL7552860 0.81 MEN1 (0.53) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL7652479 0.80 MAPT (0.43) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL7794998 0.80 MEN1 (0.47) MEN1KMT2ANPC1RAB9AATM
SCHEMBL646471 0.79 MEN1 (0.54) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL27581338 0.79 MEN1 (0.51) BACE1MEN1KMT2ANPC1RAB9A
SCHEMBL30061165 0.79 MEN1 (0.54) BACE1MEN1KMT2ANPC1RAB9A

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