SCHEMBL6526397

SCHEMBL6526397

O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N=Nc1ccc(CCCCc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
TDP1 Q9NUW8 3/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
RECQL P46063 2/20 0.41
RAB9A P51151 2/20 0.41
HSP90AA1 P07900 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BLM P54132 2/20 0.39
LMNA P02545 2/20 0.39
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CDK2 P24941 1/20 0.39
THPO P40225 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
SCHEMBL6526395 1.00 MEN1 (0.42) MEN1KMT2ATDP1NPC1MAPT
SCHEMBL6474565 0.79 MEN1 (0.50) MEN1KMT2ATDP1NPC1MAPT
SCHEMBL6482234 0.72 KMT2A (0.60) MEN1KMT2ATDP1NPC1MAPT
SCHEMBL6474797 0.71 KMT2A (0.59) MEN1KMT2ATDP1NPC1MAPT
SCHEMBL6475459 0.70 KMT2A (0.60) MEN1KMT2ATDP1NPC1MAPT
SCHEMBL6484266 0.69 MEN1 (0.46) MEN1KMT2ATDP1NPC1MAPT
SCHEMBL6474746 0.68 SERPINE1 (0.47) MEN1KMT2ATDP1NPC1MAPT
SCHEMBL6474969 0.68 KMT2A (0.66) MEN1KMT2ATDP1NPC1MAPT
SCHEMBL4206812 0.67 MAPT (0.72) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL6265068 0.67 MEN1 (0.38) MEN1KMT2ATDP1NPC1MAPT

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
US-6972287-B1 Method of inhibiting amyloid protein aggregation and imaging amyloid deposits PFIZER INC. (US) 2005-12-06 US disclosed