SCHEMBL4409648

SCHEMBL4409648

NNC(=O)CCNc1ccccc1Cc1ccccc1NCCC(=O)NN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CTSD P07339 1/20 0.38
KMT2A Q03164 2/20 0.37
DRD3 P35462 1/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL9926529 0.80 MAPT (0.58) L3MBTL1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL4411167 0.78 ALDH1A1 (0.51) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL11595858 0.76 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL1627561 0.75 L3MBTL1 (0.65) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL27536307 0.73 GAA (0.50) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL25215126 0.72 MTNR1A (0.46) L3MBTL1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL4036641 0.71 ALDH1A1 (0.60) L3MBTL1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL14184803 0.70 L3MBTL1 (0.57) L3MBTL1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4421207 0.70 L3MBTL1 (0.43) L3MBTL1ALDH1A1HPGDMAPTGAA
Diphenylmethane SCHEMBL4416804 0.69 L3MBTL1 (0.51) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C19

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
US-7638565-B2 Polyacetal resin composition POLYPLASTICS CO., LTD. (JP) 2009-12-29 US disclosed
US-20070054998-A1 Polyacetal resin composition POLYPLASTICS CO., LTD. (JP) 2007-03-08 US disclosed
EP-1686156-A1 POLYACETAL RESIN COMPOSITION Polyplastics Co., Ltd. (JP) 2006-08-02 EP disclosed