SCHEMBL6533562

SCHEMBL6533562

O=C1NC(=O)/C(=C\c2ccc(C#CCN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)cc2)S1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.49
PIM2 Q9P1W9 2/20 0.49
TTR P02766 1/20 0.49
CISD1 Q9NZ45 1/20 0.49
FPR2 P25090 10/20 0.48
LMNA P02545 6/20 0.45
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
CYP3A4 P08684 4/20 0.45
MAPK1 P28482 4/20 0.45
TP53 P04637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.45
ABCB1 P08183 2/20 0.45
HTR1A P08908 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
CYP2D6 P10635 2/20 0.45
CHRM1 P11229 2/20 0.45
DRD2 P14416 2/20 0.45

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
SCHEMBL6514244 1.00 PIM1 (0.49) PIM1PIM2TTRCISD1FPR2
SCHEMBL6511845 0.89 PIM1 (0.50) PIM1PIM2MTORRAB9APTPN1
SCHEMBL6511842 0.89 PIM1 (0.50) PIM1PIM2MTORRAB9APTPN1
SCHEMBL6511336 0.86 PIM1 (0.47) PIM1PIM2LMNAMAPTSMN1; SMN2
SCHEMBL6533782 0.86 PIM1 (0.47) PIM1PIM2LMNAMAPTSMN1; SMN2
SCHEMBL6505379 0.85 FPR2 (0.49) FPR2LMNAMAPTSMN1; SMN2CYP3A4
SCHEMBL8156006 0.82 PTPN1 (0.54) PIM1PIM2TTRCISD1FPR2
SCHEMBL8128338 0.82 PTPN1 (0.54) PIM1PIM2TTRCISD1FPR2
SCHEMBL6506714 0.79 PPARG (0.48) FPR2LMNAMAPTSMN1; SMN2CYP3A4
SCHEMBL6512065 0.78 PIM1 (0.45) PIM1PIM2ALDH1A1MTORTSHR

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 claimed