SCHEMBL6575346

SCHEMBL6575346

Nc1ccc(N=Nc2ccccc2[N+](=O)[O-])c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
MEN1 O00255 2/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CCNT1 O60563 1/20 0.51
CCNB2 O95067 1/20 0.51
CCNE2 O96020 1/20 0.51
CDK1 P06493 1/20 0.51
CDK4 P11802 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNA2 P20248 1/20 0.51
CCND1 P24385 1/20 0.51
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
CDK7 P50613 1/20 0.51
CDK9 P50750 1/20 0.51
CCNH P51946 1/20 0.51

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
SCHEMBL6575341 1.00 NPC1 (0.54) NPC1MEN1MAPTKMT2ATDP1
SCHEMBL2003135 0.82 NPC1 (0.59) NPC1MEN1MAPTKMT2ATDP1
SCHEMBL9006324 0.82 NPC1 (0.59) NPC1MEN1MAPTKMT2ATDP1
SCHEMBL12957569 0.81 CTSB (0.60) NPC1MEN1MAPTKMT2ATDP1
SCHEMBL6129305 0.80 NPC1 (0.57) NPC1MEN1MAPTKMT2ATDP1
SCHEMBL6579230 0.80 MEN1 (0.66) NPC1MEN1MAPTKMT2ATDP1
SCHEMBL6579225 0.80 MEN1 (0.66) NPC1MEN1MAPTKMT2ATDP1
SCHEMBL8653147 0.79 TDP1 (0.80) NPC1MEN1MAPTKMT2ATDP1
SCHEMBL13330237 0.78 TDP1 (0.53) NPC1MEN1MAPTKMT2ATDP1
SCHEMBL9658765 0.78 CCNT1 (0.54) NPC1MEN1MAPTKMT2ATDP1

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-6699975-B2 OLIGONUCLEOTIDE FOR USE AS TOOL IN THE DETECTION OF PREFERENTIAL COMPOUNDS IN SOLUTION EPOCH BIOSCIENCES, INC. 2004-03-02 US claimed