SCHEMBL9872830

SCHEMBL9872830

CC(=O)Nc1c(N)cccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KCNMA1 Q12791 1/20 0.45
PKM P14618 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
HDAC1 Q13547 1/20 0.43
HTT P42858 1/20 0.43
GPR35 Q9HC97 1/20 0.43
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
THRB P10828 1/20 0.42
PDE7A Q13946 1/20 0.41
TSHR P16473 1/20 0.41
CTSD P07339 1/20 0.41

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
SCHEMBL9185883 0.88 KMT2A (0.56) MEN1KMT2APOLBSMN1; SMN2L3MBTL1
SCHEMBL5144247 0.82 KCNMA1 (0.63) MEN1KMT2APOLBSMN1; SMN2L3MBTL1
SCHEMBL249599 0.82 KCNMA1 (0.56) MEN1KMT2APOLBSMN1; SMN2L3MBTL1
SCHEMBL30388557 0.82 KCNMA1 (0.63) MEN1KMT2APOLBSMN1; SMN2L3MBTL1
SCHEMBL30625900 0.81 KMT2A (0.50) MEN1KMT2APOLBSMN1; SMN2L3MBTL1
SCHEMBL3412286 0.81 MEN1 (0.50) MEN1KMT2APOLBSMN1; SMN2L3MBTL1
SCHEMBL601548 0.81 KMT2A (0.50) MEN1KMT2APOLBSMN1; SMN2L3MBTL1
SCHEMBL505372 0.81 KCNMA1 (0.51) MEN1KMT2APOLBSMN1; SMN2L3MBTL1
SCHEMBL7786752 0.80 TDP1 (0.48) MEN1KMT2APOLBSMN1; SMN2KCNMA1
SCHEMBL2931053 0.79 KMT2A (0.49) MEN1KMT2APOLBSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3122169-A None JP disclosed
JP-H03122169-A PREPARATION OF N' 1-SUBSTITUTED-P-PHENYLENEDIAMINE AND INTERMEDIATE PRODUCT HANS SCHWARZKOPF GMBH 1991-05-24 JP disclosed