SCHEMBL4416799

SCHEMBL4416799

NNC(=O)CCN(CCC(=O)NN)c1ccccc1Cc1ccccc1N(CCC(=O)NN)CCC(=O)NN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 4/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.34
CTSD P07339 1/20 0.33
KDM5C P41229 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 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
SCHEMBL4413768 0.78 L3MBTL1 (0.45) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4247537 0.76 L3MBTL1 (0.58) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL11792163 0.71 L3MBTL1 (0.51) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4414592 0.71 MMP1 (0.34) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4416802 0.70 AOC3 (0.49) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL28760421 0.69 L3MBTL1 (0.53) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4409648 0.69 L3MBTL1 (0.45) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL814319 0.67 HTR1A (0.40) ALDH1A1
SCHEMBL23856776 0.67 HDAC3 (0.58) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4251995 0.67 ALDH1A1 (0.47) L3MBTL1ALDH1A1MAPTGAAKMT2A

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