SCHEMBL2652283

SCHEMBL2652283

COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(C(C)Sc2ncc[nH]2)s1.COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(CSc2nncn2C)s1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 3/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.34
NTRK1 P04629 2/20 0.33
NTRK2 Q16620 2/20 0.33
CBLB Q13191 1/20 0.33
HSD17B10 Q99714 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 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
SCHEMBL6696343 0.88 ALDH1A1 (0.44) ALDH1A1KDM4ENPC1LMNARAB9A
SCHEMBL6697170 0.87 TP53 (0.42) ALDH1A1KDM4ENPC1LMNARAB9A
SCHEMBL2662061 0.87 TP53 (0.37) ALDH1A1KDM4ENPC1LMNARAB9A
SCHEMBL2656451 0.84 TP53 (0.43) KDM4ENPC1LMNARAB9ASMN1; SMN2
SCHEMBL6697168 0.79 TP53 (0.42) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL6696522 0.78 TP53 (0.42) NPC1LMNARAB9ASMN1; SMN2GAA
SCHEMBL2650922 0.78 TP53 (0.43) NPC1LMNARAB9ASMN1; SMN2GAA
SCHEMBL6696356 0.77 TP53 (0.42) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL6696350 0.77 LMNA (0.45) ALDH1A1KDM4ELMNASMN1; SMN2POLB
SCHEMBL6695518 0.76 TP53 (0.45) KDM4ENPC1LMNARAB9ASMN1; SMN2

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