SCHEMBL624677

SCHEMBL624677

O=C(Nc1nc2cncnc2s1)C(SC1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.44
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 2/20 0.41
KMT2A Q03164 6/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 3/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 5/20 0.39
LMNA P02545 4/20 0.39
KDM4E B2RXH2 2/20 0.39
CRHBP P24387 1/20 0.39
RAB9A P51151 1/20 0.39
CRHR2 Q13324 1/20 0.39
TP53 P04637 2/20 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
SCHEMBL627708 0.80 ALDH1A1 (0.58) GCKALDH1A1HSD17B10SMN1; SMN2USP2
SCHEMBL623635 0.72 GCK (0.60) GCKALDH1A1HSD17B10SMN1; SMN2USP2
SCHEMBL624654 0.71 GCK (0.57) GCK
SCHEMBL623582 0.68 GCK (0.54) GCK
SCHEMBL184038 0.68 GCK (0.68) GCKALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL184729 0.67 GCK (0.67) GCK
SCHEMBL625466 0.67 GCK (0.49) GCK
SCHEMBL1381285 0.66 GCK (0.90) GCKALDH1A1HSD17B10SMN1; SMN2USP2
SCHEMBL625184 0.66 GCK (0.49) GCK
SCHEMBL1565486 0.66 GCK (0.66) GCKHTTGAA

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
WO-2012020357-A1 ACETAMIDE COMPOUNDS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS LTD. (IN) 2012-02-16 WO claimed
WO-2012020357-A1 ACETAMIDE COMPOUNDS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS LTD. (IN) 2012-02-16 WO disclosed