SCHEMBL6511729

SCHEMBL6511729

O=Cc1ccc(C#CCN2c3ccccc3Sc3ccccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM1A O60341 4/20 0.37
MAPT P10636 3/20 0.37
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
PIM1 P11309 1/20 0.37
ALOX15 P16050 3/20 0.37
HSD17B10 Q99714 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
BCHE P06276 2/20 0.37
HPGD P15428 2/20 0.37
ALOX12 P18054 2/20 0.37
ACHE P22303 2/20 0.37
SLC22A1 O15245 2/20 0.37

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
SCHEMBL6505379 0.87 FPR2 (0.49) MEN1KMT2ALMNAHDAC6MAPT
SCHEMBL6532221 0.82 MTNR1A (0.35) MEN1KMT2ALMNAMAPTPTGS1
SCHEMBL6512702 0.81 P2RX4 (0.35) MEN1KMT2ALMNAHDAC6HSD17B10
SCHEMBL6511845 0.80 PIM1 (0.50) PTGS2PIM1HPGDMAOAPOLB
SCHEMBL6511842 0.80 PIM1 (0.50) PTGS2PIM1HPGDMAOAPOLB
SCHEMBL6532625 0.76 MAPT (0.40) MEN1KMT2ALMNAHDAC6MAPT
SCHEMBL6533782 0.73 PIM1 (0.47) MEN1KMT2ALMNAMAPTPIM1
SCHEMBL6511336 0.73 PIM1 (0.47) MEN1KMT2ALMNAMAPTPIM1
SCHEMBL5427760 0.72 ALDH1A1 (0.46) MEN1KMT2ALMNAKDM1AMAPT
SCHEMBL6533265 0.72 PTAFR (0.46) MEN1KMT2ALMNAMAPTKDM4E

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-2005100331-A2 ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-10-27 WO disclosed