SCHEMBL29033974

SCHEMBL29033974

O=[N+]([O-])c1cc(-c2ccn(Cc3ccccc3)n2)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
KDM4E B2RXH2 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
NR1I3 Q14994 1/20 0.45
VCAM1 P19320 2/20 0.44
MAPK1 P28482 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
DGAT1 O75907 1/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 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
SCHEMBL29033971 0.87 HDAC1 (0.42) MAPTKDM4EL3MBTL1TDP1MEN1
SCHEMBL29033966 0.85 KDM1A (0.51) MAPTKDM4EL3MBTL1TDP1NR1I3
SCHEMBL4449942 0.80 ALDH1A1 (0.52) MAPTKDM4ETDP1MAPK1MEN1
SCHEMBL30502863 0.78 KDM4E (0.50) MAPTKDM4EL3MBTL1TDP1NR1I3
SCHEMBL29033970 0.78 KDM4E (0.50) MAPTKDM4EL3MBTL1TDP1NR1I3
SCHEMBL27858170 0.75 KDM1A (0.52) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL26192842 0.75 HDAC3 (0.42) MAPTKDM4EMAPK1MEN1KMT2A
SCHEMBL25258840 0.74 ALDH1A1 (0.51) MAPTKDM4ETDP1MEN1KMT2A
SCHEMBL31128113 0.74 LMNA (0.57) MAPTKDM4EL3MBTL1TDP1NR1I3
SCHEMBL7494123 0.73 RAB9A (0.68) MAPTKDM4EL3MBTL1TDP1KMT2A

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
CN-116444436-A Synthesis method of aminophenylpyrazole compound 曲靖师范学院 2023-07-18 CN disclosed