SCHEMBL2654025

SCHEMBL2654025

CN(C)CNS(=O)(=O)c1ccc(/C=C(\CO)C2CCCC2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
GAA P10253 2/20 0.35
KMT2A Q03164 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
RECQL P46063 1/20 0.33
TSHR P16473 1/20 0.33
F10 P00742 1/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 2/20 0.32
MMP13 P45452 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31

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
SCHEMBL4480009 0.74 GAA (0.34) ALDH1A1GAAKMT2ACYP2D6CYP2C19
SCHEMBL4483446 0.68 PSEN1 (0.37) ALDH1A1GAAKMT2ACYP2D6CYP2C19
SCHEMBL2653003 0.66 SMN1; SMN2 (0.54) ALDH1A1GAAKMT2ACYP2D6CYP2C19
SCHEMBL2653396 0.64 LMNA (0.39) ALDH1A1GAAKMT2AMEN1CYP3A4
SCHEMBL2653581 0.57 MEN1 (0.48) ALDH1A1KMT2ACYP2D6CYP2C19MEN1
SCHEMBL3363467 0.54 ALDH1A1 (0.55) ALDH1A1CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL1164041 0.54 SMN1; SMN2 (0.58) ALDH1A1GAAKMT2ACYP2C19MEN1
SCHEMBL2654986 0.54 CA1 (0.41)
SCHEMBL2652662 0.54 CYP4F2 (0.43) ALDH1A1KMT2AMEN1RECQLHPGD
SCHEMBL6994378 0.54 KMT2A (0.56) ALDH1A1GAAKMT2AMEN1TSHR

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