SCHEMBL29033966

SCHEMBL29033966

COc1ccc(Cn2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
RAF1 P04049 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
GFER P55789 1/20 0.47
PAX8 Q06710 1/20 0.47
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL27858170 0.91 KDM1A (0.52) KDM1AHDAC1HDAC2HDAC8HDAC6
SCHEMBL29033978 0.88 KDM1A (0.52) KDM1AHDAC1HDAC2HDAC8HDAC6
SCHEMBL29033974 0.85 MAPT (0.50) HDAC1HDAC2HDAC8HDAC6HDAC5
SCHEMBL29033977 0.81 KDM1A (0.53) KDM1AHDAC1HDAC2HDAC8HDAC6
SCHEMBL30502860 0.81 KDM1A (0.53) KDM1AHDAC1HDAC2HDAC8HDAC6
SCHEMBL1861673 0.75 KMT2A (0.49) MAPTSMN1; SMN2LMNAHSP90AA1HSP90AB1
SCHEMBL4307777 0.73 CACNA1G (0.54) KDM1AHDAC1HDAC2HDAC8HDAC6
SCHEMBL30502867 0.73 KDM1A (0.54) KDM1AHDAC1HDAC2HDAC8HDAC6
SCHEMBL29033973 0.73 KDM1A (0.54) KDM1AHDAC1HDAC2HDAC8HDAC6
SCHEMBL29033971 0.73 HDAC1 (0.42) KDM1AHDAC1HDAC2HDAC8HDAC6

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