SCHEMBL2656498

SCHEMBL2656498

CCOC(=O)Cc1csc(NC(=O)C(CC2CCCC2)c2ccc(-c3ccccc3)cc2)n1.O=C(O)Cc1csc([AsH2])n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
GCK P35557 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.45
PDE5A O76074 1/20 0.44
MME P08473 3/20 0.44

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
SCHEMBL2648107 0.93 ALDH1A1 (0.56) ALDH1A1TDP1SMN1; SMN2LMNATP53
SCHEMBL6596927 0.91 ALDH1A1 (0.49) ALDH1A1TDP1SMN1; SMN2LMNATP53
SCHEMBL2648681 0.86 GCK (0.53) ALDH1A1TDP1SMN1; SMN2GCKPDE5A
SCHEMBL2647253 0.85 ALDH1A1 (0.54) ALDH1A1TDP1SMN1; SMN2LMNATP53
SCHEMBL2647614 0.84 GCK (0.49) GCKPDE5AMME
SCHEMBL2648137 0.83 LTC4S (0.52) ALDH1A1TDP1SMN1; SMN2LMNATP53
SCHEMBL2646210 0.83 MAPT (0.59) ALDH1A1TDP1SMN1; SMN2LMNAGCK
SCHEMBL2647225 0.83 GCK (0.68) ALDH1A1TDP1SMN1; SMN2LMNAGCK
SCHEMBL2646191 0.80 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2LMNATP53
SCHEMBL2648531 0.80 SMN1; SMN2 (0.55) TDP1SMN1; SMN2LMNAGCKPOLB

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-1282611-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-12 EP disclosed
WO-2001085706-A1 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-15 WO disclosed