SCHEMBL2650867

SCHEMBL2650867

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
TSHR P16473 3/20 0.36
CASP1 P29466 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MPO P05164 1/20 0.36
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 2/20 0.33
GCK P35557 2/20 0.33

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
SCHEMBL1341907 0.95 TSHR (0.40) POLBKMT2ANPC1TSHRCASP1
SCHEMBL2650833 0.94 SMN1; SMN2 (0.36) POLBKMT2ANPC1TSHRCASP1
SCHEMBL1343278 0.93 LMNA (0.39) POLBKMT2ANPC1TSHRHSD17B10
SCHEMBL1343179 0.88 TSHR (0.37) POLBKMT2ANPC1TSHRCASP1
SCHEMBL1339919 0.88 CSNK1D (0.38) POLBKMT2ANPC1TSHRCASP1
SCHEMBL1340920 0.86 NPC1 (0.42) POLBKMT2ANPC1TSHRLMNA
SCHEMBL1342237 0.86 CSNK1D (0.39) POLBKMT2ANPC1TSHRLMNA
SCHEMBL1342875 0.84 TSHR (0.41) POLBKMT2ANPC1TSHRCASP1
SCHEMBL1343027 0.83 HSD17B10 (0.36) POLBTSHRCASP1HSD17B10MPO
SCHEMBL2651429 0.83 SMN1; SMN2 (0.36) POLBKMT2ANPC1LMNAALDH1A1

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