SCHEMBL29033970

SCHEMBL29033970

Nc1cc(-c2ccn(Cc3ccccc3)n2)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MPO P05164 1/20 0.47
ALDH1A1 P00352 5/20 0.47
LMNA P02545 5/20 0.47
NPC1 O15118 4/20 0.47
HPGD P15428 3/20 0.47
RAB9A P51151 3/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
DGAT1 O75907 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
MAPT P10636 6/20 0.44
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 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
SCHEMBL30502863 1.00 KDM4E (0.50) KDM4ETDP1L3MBTL1MPOALDH1A1
SCHEMBL9820215 0.85 ALDH1A1 (0.47) KDM4ETDP1L3MBTL1MPOALDH1A1
SCHEMBL29033981 0.85 MPO (0.47) KDM4ETDP1L3MBTL1MPOALDH1A1
SCHEMBL30502865 0.85 MPO (0.47) KDM4ETDP1L3MBTL1MPOALDH1A1
SCHEMBL30502860 0.83 KDM1A (0.53) KDM4ETDP1L3MBTL1ALDH1A1NPC1
SCHEMBL29033977 0.83 KDM1A (0.53) KDM4ETDP1L3MBTL1ALDH1A1NPC1
SCHEMBL4459730 0.80 MPO (0.55) KDM4ETDP1L3MBTL1MPOALDH1A1
SCHEMBL31128113 0.79 LMNA (0.57) KDM4ETDP1L3MBTL1ALDH1A1LMNA
SCHEMBL7494123 0.78 RAB9A (0.68) KDM4ETDP1L3MBTL1MPOALDH1A1
SCHEMBL29033974 0.78 MAPT (0.50) KDM4ETDP1L3MBTL1ALDH1A1LMNA

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