SCHEMBL8193602

SCHEMBL8193602

CO[C](CC(C)C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.43
ESRRB O95718 1/20 0.43
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 5/20 0.41
POLB P06746 3/20 0.41
XBP1 P17861 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 4/20 0.39
MEN1 O00255 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL2117787 0.76 TSHR (0.48) KMT2ASMN1; SMN2MAPTKDM4ETDP1
SCHEMBL9493113 0.73 MAPT (0.41) KMT2ASMN1; SMN2MAPTKDM4ETDP1
SCHEMBL580769 0.72 TSHR (0.45) KMT2ASMN1; SMN2MAPTKDM4ETDP1
SCHEMBL8408014 0.72 CES1 (0.48) KMT2ASMN1; SMN2MAPTKDM4ETDP1
SCHEMBL14073800 0.72 MAPT (0.49) KMT2ASMN1; SMN2MAPTKDM4ETDP1
SCHEMBL1537422 0.71 MAPT (0.40) KMT2ASMN1; SMN2MAPTKDM4ETDP1
SCHEMBL7748561 0.71 KMT2A (0.64) KMT2ASMN1; SMN2MAPTKDM4ETDP1
SCHEMBL9799560 0.70 TSHR (0.63) KMT2ASMN1; SMN2MAPTKDM4ETDP1
SCHEMBL535991 0.70 MAOA (0.47) KMT2ASMN1; SMN2MAPTKDM4ETDP1
SCHEMBL9053188 0.70 MAPT (0.41) KMT2ASMN1; SMN2MAPTKDM4ETDP1

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
US-6110903-A INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE AT THE AMP SITE; ADMINISTERING TO TREAT DIABETES AND INHIBIT GLUCONEOGENESIS; 5-FLUORO-7-BROMO-1-ISOBUTYL-2-(2-PHOSPHONO-5-FURANYL) BENZIMIDAZOLE, FOR EXAMPLE SANKYO COMPANY LTD. (JP) 2000-08-29 US disclosed