SCHEMBL6533782

SCHEMBL6533782

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.47
PIM2 Q9P1W9 3/20 0.47
CYP2D6 P10635 4/20 0.43
LMNA P02545 4/20 0.43
CYP1A2 P05177 3/20 0.43
BACE1 P56817 1/20 0.43
CYP2C19 P33261 3/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
ABCB11 O95342 2/20 0.42
TP53 P04637 2/20 0.42
CYP3A4 P08684 2/20 0.42
HTR1A P08908 2/20 0.42
ADRA2A P08913 2/20 0.42
DRD2 P14416 2/20 0.42
TSHR P16473 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42

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
SCHEMBL6511336 1.00 PIM1 (0.47) PIM1PIM2CYP2D6LMNACYP1A2
SCHEMBL6511842 0.91 PIM1 (0.50) PIM1PIM2MTORPIM3RAB9A
SCHEMBL6511845 0.91 PIM1 (0.50) PIM1PIM2MTORPIM3RAB9A
SCHEMBL6533562 0.86 PIM1 (0.49) PIM1PIM2CYP2D6LMNACYP1A2
SCHEMBL6514244 0.86 PIM1 (0.49) PIM1PIM2CYP2D6LMNACYP1A2
SCHEMBL6512061 0.81 PIM1 (0.45) PIM1PIM2NPSR1TSHRMTOR
SCHEMBL6512065 0.81 PIM1 (0.45) PIM1PIM2NPSR1TSHRMTOR
SCHEMBL6514075 0.77 PIM1 (0.55) PIM1PIM2CYP3A4MEN1KMT2A
SCHEMBL6507601 0.77 PIM1 (0.55) PIM1PIM2CYP3A4MEN1KMT2A
SCHEMBL6530093 0.75 PIM1 (0.45) PIM1PIM2MTORPIM3IGF1R

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