SCHEMBL5136140

SCHEMBL5136140

CCOc1nc(NC(=O)c2ccccc2)sc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.58
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58
ALDH1A1 P00352 4/20 0.57
LMNA P02545 2/20 0.57
ADORA3 P0DMS8 5/20 0.54
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
KMT2A Q03164 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HTT P42858 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
ADORA2B P29275 1/20 0.53
PKM P14618 2/20 0.52
ADORA1 P30542 3/20 0.52
ADORA2A P29274 1/20 0.51
TSHR P16473 1/20 0.51
MEN1 O00255 2/20 0.50
CSNK1D P48730 1/20 0.50

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
SCHEMBL3582729 0.78 NPC1 (0.73) SMN1; SMN2TP53MAPTALDH1A1LMNA
SCHEMBL5136133 0.78 SMN1; SMN2 (0.50) SMN1; SMN2TP53MAPTALDH1A1LMNA
SCHEMBL3584407 0.77 SMN1; SMN2 (0.80) SMN1; SMN2TP53MAPTALDH1A1LMNA
SCHEMBL3584915 0.75 ADORA3 (0.58) SMN1; SMN2TP53MAPTALDH1A1LMNA
SCHEMBL3584743 0.75 ADORA3 (0.58) SMN1; SMN2MAPTALDH1A1LMNAADORA3
SCHEMBL3587631 0.74 ADORA3 (0.82) SMN1; SMN2MAPTALDH1A1LMNAADORA3
SCHEMBL3580925 0.74 KMT2A (0.78) SMN1; SMN2MAPTALDH1A1LMNAADORA3
SCHEMBL14877171 0.73 ALDH1A1 (0.75) SMN1; SMN2TP53MAPTALDH1A1LMNA
SCHEMBL2247099 0.73 MAPT (1.00) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL3586012 0.72 ALDH1A1 (1.00) SMN1; SMN2TP53ALDH1A1LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1661567-B1 Compounds effecting Glucokinase ASTRAZENECA AB (SE) 2008-06-11 EP disclosed
EP-1669068-B1 Compounds effecting Glucokinase ASTRAZENECA AB (SE) 2008-06-11 EP disclosed
EP-1674097-B1 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2008-06-11 EP disclosed