SCHEMBL2659115

SCHEMBL2659115

CS(=O)(=O)c1cccc(Br)c1.CS(=O)(=O)c1cccc(C(=CC2CCCCC2)CO)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
MBTD1 Q05BQ5 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
MMP2 P08253 1/20 0.34
POLB P06746 1/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
HTR7 P34969 2/20 0.34

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
SCHEMBL2659114 1.00 PTGS2 (0.38) PTGS2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4472935 0.93 ALDH1A1 (0.42) KMT2AALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL2655406 0.93 ALDH1A1 (0.42) KMT2AALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL1581754 0.78 KMT2A (0.49) PTGS2KMT2AMEN1
SCHEMBL1581752 0.78 KMT2A (0.49) PTGS2KMT2AMEN1
SCHEMBL4483872 0.78 KMT2A (0.49) PTGS2KMT2AMEN1
SCHEMBL1582009 0.77 KMT2A (0.47) PTGS2KMT2AAKR1C3
SCHEMBL1582005 0.77 KMT2A (0.47) PTGS2KMT2AAKR1C3
SCHEMBL4486333 0.77 KMT2A (0.47) PTGS2KMT2AAKR1C3
SCHEMBL1581778 0.72 GCK (0.40) KMT2AMEN1LMNAPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585739-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063179-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed