SCHEMBL6507697

SCHEMBL6507697

O=C1NC(=O)C(=Cc2ccc(C#CCn3c4ccc(Br)cc4c4cc(Br)ccc43)cc2)S1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.53
PIM2 Q9P1W9 5/20 0.53
MAOA P21397 4/20 0.53
MAOB P27338 4/20 0.53
CISD1 Q9NZ45 5/20 0.50
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
IGF1R P08069 2/20 0.43
TTR P02766 1/20 0.43
INSR P06213 1/20 0.43
PYGL P06737 1/20 0.43
PTGS2 P35354 2/20 0.42
PIM3 Q86V86 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL6507951 0.84 PIM1 (0.52) PIM1PIM2MAOAMAOBMEN1
SCHEMBL6532952 0.84 PIM1 (0.52) PIM1PIM2MAOAMAOBMEN1
SCHEMBL6528290 0.80 MAPT (0.38)
SCHEMBL6510045 0.73 MGAM (0.56) PIM1PIM2MAOAMAOBCISD1
SCHEMBL1250576 0.72 PIM1 (1.00) PIM1PIM2MAOAMAOBCISD1
SCHEMBL2544417 0.72 PIM1 (1.00) PIM1PIM2MAOAMAOBCISD1
SCHEMBL1250573 0.72 PIM1 (1.00) PIM1PIM2MAOAMAOBCISD1
SCHEMBL6529791 0.72 MGAM (0.48) PIM1PIM2MAOAMAOBMEN1
SCHEMBL6529790 0.72 MGAM (0.48) PIM1PIM2MAOAMAOBMEN1
SCHEMBL6511845 0.71 PIM1 (0.50) PIM1PIM2MAOAMAOBIGF1R

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