SCHEMBL22011518

SCHEMBL22011518

CNc1ncc(/C=C/C(=O)N(C)Cc2c(C)sc3c(Oc4cccc(OC)c4)cccc23)cc1CCCC=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
EGFR P00533 2/20 0.31
BTK Q06187 1/20 0.31
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SLC1A5 Q15758 1/20 0.30

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
SCHEMBL22010759 0.87 KDM4E (0.33) KDM4EALDH1A1GAAHPGDLTB4R
SCHEMBL22010509 0.75 MTNR1B (0.33) KDM4EALDH1A1GAAHPGDEGFR
SCHEMBL22011052 0.75
SCHEMBL22010528 0.75
SCHEMBL22010515 0.74
SCHEMBL24722717 0.72
SCHEMBL22011517 0.72
SCHEMBL22011505 0.69 PLAU (0.31)
SCHEMBL13813456 0.66 AKR1C3 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL22010531 0.65 MTNR1B (0.40) KDM4EMAPTSMN1; SMN2

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
WO-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 WO disclosed