SCHEMBL24445927

SCHEMBL24445927

N#CC1C(=O)C(Cl)=C(Cl)C(=O)C1C#N

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
CES2 O00748 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
BCHE P06276 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
ACHE P22303 1/20 0.30
CES1 P23141 1/20 0.30
MAPK1 P28482 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL24445710 0.86
SCHEMBL7996760 0.65
SCHEMBL17713603 0.61 KDM4E (0.31) KDM4E
SCHEMBL7830998 0.61
SCHEMBL11418036 0.60 CES2 (0.38) KDM4EMEN1CES2ALDH1A1TP53
SCHEMBL21443828 0.60 S100A4 (0.43) KDM4EMEN1CES2ALDH1A1TP53
SCHEMBL12500062 0.55 MEN1 (0.39) KDM4EMEN1CES2ALDH1A1TP53
SCHEMBL1387747 0.55 CES2 (0.44) KDM4EMEN1CES2ALDH1A1TP53
SCHEMBL9615320 0.53 MAP3K14 (0.35) KDM4EMEN1CES2ALDH1A1TP53
SCHEMBL164583 0.49

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
EP-4001288-A1 PROCESS FOR THE PREPARATION OF TRENBOLONE ACETATE HAVING A DEFINITE PARTICLE SIZE DISTRIBUTION AND A IRREGULAR HEXAGON PLATES CRYSTAL HABIT F.I.S.- Fabbrica Italiana Sintetici S.p.A. (IT) 2022-05-25 EP disclosed