SCHEMBL6832268

SCHEMBL6832268

N#Cc1c(F)ccc([N+](=O)[O-])c1F.N#Cc1c(Oc2ccccc2)ccc([N+](=O)[O-])c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
TTR P02766 1/20 0.46
ALB P02768 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPSE Q9Y251 1/20 0.39
HSPB1 P04792 4/20 0.39
MERTK Q12866 1/20 0.38
HTR6 P50406 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
EPAS1 Q99814 1/20 0.36
ERBB2 P04626 1/20 0.36
PDE7A Q13946 1/20 0.35
TLR4 O00206 1/20 0.35
TLR2 O60603 1/20 0.35
PIN1 Q13526 1/20 0.34

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
SCHEMBL6832334 0.95 MEN1 (0.50) MEN1TTRALBTHRBKMT2A
SCHEMBL1361699 0.82 TDP1 (0.44) TDP1SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL6829291 0.82 TDP1 (0.41) MEN1TTRALBTHRBKMT2A
SCHEMBL2410906 0.77 TDP1 (0.47) MEN1TTRALBTHRBKMT2A
SCHEMBL15820028 0.76 ALDH1A1 (0.45) MEN1KMT2ATDP1MAPTLMNA
SCHEMBL2127539 0.72 SLC6A4 (0.44) MEN1KMT2ATDP1SMN1; SMN2MAPT
SCHEMBL18956840 0.72 TDP1 (0.54) MEN1TTRALBTHRBKMT2A
SCHEMBL18956882 0.72 TDP1 (0.54) MEN1TTRALBTHRBKMT2A
SCHEMBL938815 0.72 MEN1 (0.69) MEN1TTRALBTHRBKMT2A
SCHEMBL22904575 0.71 CYP1A2 (0.47) MEN1KMT2ASMN1; SMN2EPAS1ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004113303-A1 INDAZOLE/PYRZOLO[4,3-c]PYRIDIN DERIVATIVES AS JNK INHIBITORS, COMPOSITIONS AND METHODS RELATED THERETO AS WELL AS INTERMEDIATE THEREOF ASTRAZENECA AB (SE) 2004-12-29 WO disclosed