SCHEMBL2646726

SCHEMBL2646726

O=Cc1c(CO)ccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.61
L3MBTL1 Q9Y468 3/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
MPI P34949 1/20 0.42

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
SCHEMBL6754178 0.87 ERN1 (0.56) ERN1L3MBTL1MAPTNPC1RAB9A
SCHEMBL3268984 0.85 ERN1 (0.56) ERN1L3MBTL1MAPTNPC1RAB9A
SCHEMBL5841524 0.83 ERN1 (0.55) ERN1L3MBTL1MAPTNPC1RAB9A
SCHEMBL2646500 0.83 ERN1 (0.55) ERN1L3MBTL1MAPTNPC1RAB9A
SCHEMBL6754145 0.82 TDP1 (0.59) ERN1L3MBTL1MAPTNPC1RAB9A
SCHEMBL7110827 0.81 L3MBTL1 (0.58) ERN1L3MBTL1MAPTNPC1RAB9A
SCHEMBL628771 0.81 ERN1 (0.53) ERN1L3MBTL1MAPTNPC1RAB9A
Hypophosphorous Acid SCHEMBL9559627 0.81 ERN1 (0.53) ERN1L3MBTL1MAPTNPC1RAB9A
SCHEMBL30062946 0.81 ERN1 (0.43) ERN1L3MBTL1MAPTTDP1GAA
SCHEMBL2514321 0.81 ERN1 (0.43) ERN1L3MBTL1MAPTTDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077821-A1 Flame retarding resin composition CHANG CHUN PLASTICS CO., LTD. (TW) 2004-04-22 US disclosed
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-1140823-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2001-10-10 EP disclosed
WO-2000039088-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-07-06 WO disclosed