SCHEMBL28559698

SCHEMBL28559698

CC(C)Nc1cccc(Sc2ccc(C(=O)c3ccccc3C(=O)O)cc2[N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.63
▸ BCL2L1 Q07817 2/20 0.63
▸ KDM4E B2RXH2 4/20 0.61
▸ LMNA P02545 1/20 0.61
▸ HTT P42858 2/20 0.58
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ CDC25B P30305 1/20 0.53
▸ MAPT P10636 5/20 0.53
▸ GAA P10253 1/20 0.51
▸ GLA P06280 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.47
▸ HPSE Q9Y251 1/20 0.47
▸ HCAR3 P49019 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42

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
SCHEMBL28564785 0.85 POLB (0.64) POLBBCL2L1KDM4ELMNAHTT
SCHEMBL5543562 0.84 POLB (0.84) POLBBCL2L1KDM4ELMNAHTT
SCHEMBL38652447 0.84 POLB (0.84) POLBBCL2L1KDM4ELMNAHTT
SCHEMBL28564882 0.82 KDM4E (0.71) POLBBCL2L1KDM4ELMNAHTT
SCHEMBL28549966 0.78 POLB (0.80) POLBBCL2L1KDM4ELMNAHTT
SCHEMBL28563150 0.77 POLB (0.80) POLBBCL2L1KDM4ELMNAHTT
SCHEMBL24704031 0.76 KDM4E (1.00) POLBBCL2L1KDM4ELMNAMEN1
SCHEMBL28564823 0.76 KDM4E (0.65) POLBBCL2L1KDM4ELMNAHTT
SCHEMBL28559166 0.74 KDM4E (0.69) POLBBCL2L1KDM4ELMNAMEN1
SCHEMBL28554342 0.74 KDM4E (0.76) POLBBCL2L1KDM4ELMNAHTT

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-112638909-A Compounds with antibacterial activity 香港理工大学 2021-04-09 — — CN disclosed
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