SCHEMBL7795531

SCHEMBL7795531

O=C(c1c(F)c(F)c(Oc2ccc([N+](=O)[O-])c(OCc3ccccc3)c2)c(F)c1F)c1c(F)c(F)c(Oc2ccc([N+](=O)[O-])c(OCc3ccccc3)c2)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.43
CTSL P07711 3/20 0.43
MAPT P10636 3/20 0.42
MYC P01106 1/20 0.42
MAX P61244 1/20 0.42
BACE1 P56817 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
PTGES O14684 1/20 0.40
FAAH O00519 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CYP19A1 P11511 1/20 0.40
POLB P06746 1/20 0.39
SENP8 Q96LD8 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
SCHEMBL4623468 0.89 MEN1 (0.45) CTSVCTSLMAPTMYCMAX
SCHEMBL7548709 0.88 MEN1 (0.44) CTSVCTSLMAPTMYCMAX
SCHEMBL7554986 0.85 BACE1 (0.41) CTSVCTSLMAPTMYCMAX
SCHEMBL7652479 0.83 MAPT (0.43) CTSVCTSLMAPTMYCMAX
SCHEMBL7795079 0.83 MEN1 (0.40) CTSVCTSLMAPTMYCMAX
SCHEMBL7552860 0.83 MEN1 (0.53) CTSVCTSLMAPTMYCMAX
SCHEMBL7794998 0.81 MEN1 (0.47) CTSVCTSLMAPTMYCMAX
SCHEMBL646471 0.80 MEN1 (0.54) CTSVCTSLMAPTMYCMAX
SCHEMBL27581338 0.80 MEN1 (0.51) CTSVCTSLMAPTMYCMAX
SCHEMBL30061165 0.80 MEN1 (0.54) CTSVCTSLMAPTMYCMAX

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-0918050-B1 Bis-o-amino(thio)phenols and their preparation INFINEON TECHNOLOGIES AG (DE) 2001-12-12 EP disclosed
US-6156902-A Bis-o-amino (thio) phenols, and their preparation INFINEON TECHNOLOGIES AG (DE) 2000-12-05 US disclosed
EP-0918050-A1 Bis-o-amino(thio)phenols and their preparation SIEMENS AKTIENGESELLSCHAFT (DE) 1999-05-26 EP disclosed