SCHEMBL28559166

SCHEMBL28559166

Cc1ccc(Sc2ccc(C(=O)c3ccccc3C(=O)O)cc2[N+](=O)[O-])c(C)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.69
▸ LMNA P02545 2/20 0.69
▸ POLB P06746 5/20 0.65
▸ BCL2L1 Q07817 2/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ CDC25B P30305 1/20 0.58
▸ SLC6A2 P23975 1/20 0.57
▸ SLC6A4 P31645 1/20 0.57
▸ SLC6A3 Q01959 1/20 0.57
▸ GLA P06280 1/20 0.57
▸ HPSE Q9Y251 1/20 0.53
▸ MAPT P10636 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.49
▸ AKR1C3 P42330 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ GAA P10253 1/20 0.47

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
SCHEMBL38652447 0.83 POLB (0.84) KDM4ELMNAPOLBBCL2L1MEN1
SCHEMBL5543562 0.83 POLB (0.84) KDM4ELMNAPOLBBCL2L1MEN1
SCHEMBL28564823 0.83 KDM4E (0.65) KDM4ELMNAPOLBBCL2L1MEN1
SCHEMBL28559246 0.83 KDM4E (0.67) KDM4ELMNAPOLBBCL2L1MEN1
SCHEMBL24704031 0.82 KDM4E (1.00) KDM4ELMNAPOLBBCL2L1MEN1
SCHEMBL28554342 0.82 KDM4E (0.76) KDM4ELMNAPOLBBCL2L1MEN1
SCHEMBL28574496 0.81 KDM4E (0.71) KDM4ELMNAPOLBBCL2L1MEN1
SCHEMBL1645181 0.81 SLC6A4 (0.75) KDM4ELMNAPOLBBCL2L1MEN1
SCHEMBL5216739 0.81 CDC25B (0.71) KDM4ELMNAPOLBBCL2L1MEN1
SCHEMBL28557350 0.81 KDM4E (0.67) KDM4ELMNAPOLBBCL2L1MEN1

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
Send feedback