SCHEMBL2650833

SCHEMBL2650833

COc1ccccc1Oc1ccccc1NC(=O)C(=O)Nc1nc(CNS(C)(=O)=O)c(Sc2ccccn2)s1.COc1ccccc1Oc1ccccc1NC(=O)C(=O)Nc1nc(CNS(C)(=O)=O)c(Sc2ncc[nH]2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.35
TSHR P16473 4/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 3/20 0.34
GCK P35557 3/20 0.34
CASP1 P29466 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MPO P05164 1/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.32
PKM P14618 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32

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
SCHEMBL1343179 0.95 TSHR (0.37) SMN1; SMN2ALDH1A1NPC1KDM4ERAB9A
SCHEMBL2650867 0.94 POLB (0.38) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL1340920 0.93 NPC1 (0.42) SMN1; SMN2ALDH1A1NPC1KDM4ERAB9A
SCHEMBL1341907 0.88 TSHR (0.40) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL1342650 0.88 CSNK1D (0.35) SMN1; SMN2ALDH1A1NPC1KDM4ERAB9A
SCHEMBL1343278 0.86 LMNA (0.39) SMN1; SMN2NPC1RAB9APOLBTSHR
SCHEMBL1343385 0.85 GCK (0.37) SMN1; SMN2ALDH1A1NPC1KDM4ERAB9A
SCHEMBL1341328 0.84 TSHR (0.38) SMN1; SMN2ALDH1A1NPC1KDM4ERAB9A
SCHEMBL1342862 0.83 HSD17B10 (0.33) SMN1; SMN2ALDH1A1NPC1KDM4ERAB9A
SCHEMBL1339919 0.82 CSNK1D (0.38) SMN1; SMN2ALDH1A1NPC1RAB9APOLB

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-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed