SCHEMBL4893970

SCHEMBL4893970

CN(C)c1ccc(C=NC2CCCCC2N=Cc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
L3MBTL1 Q9Y468 3/20 0.50
KDM4E B2RXH2 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GLA P06280 2/20 0.46
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45

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
SCHEMBL4893965 1.00 ALDH1A1 (0.54) ALDH1A1L3MBTL1KDM4EKMT2AMAPT
SCHEMBL4902361 0.81 ALDH1A1 (0.56) ALDH1A1L3MBTL1KDM4EKMT2AMAPT
SCHEMBL4902366 0.81 ALDH1A1 (0.56) ALDH1A1L3MBTL1KDM4EKMT2AMAPT
SCHEMBL4898777 0.77 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4EKMT2AMAPT
SCHEMBL4898779 0.77 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4EKMT2AMAPT
SCHEMBL3585094 0.75 RAB9A (0.52) ALDH1A1L3MBTL1KDM4EKMT2ASMN1; SMN2
SCHEMBL4891605 0.75 RAB9A (0.52) ALDH1A1L3MBTL1KDM4EKMT2ASMN1; SMN2
SCHEMBL3585089 0.75 RAB9A (0.52) ALDH1A1L3MBTL1KDM4EKMT2ASMN1; SMN2
SCHEMBL13368811 0.75 RAB9A (0.52) ALDH1A1L3MBTL1KDM4EKMT2ASMN1; SMN2
SCHEMBL4891614 0.75 RAB9A (0.52) ALDH1A1L3MBTL1KDM4EKMT2ASMN1; 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
US-8853352-B2 Functionalized polymer and method for making BRIDGESTONE CORPORATION (JP) 2014-10-07 US disclosed
US-20080154020-A1 introducing imine compounds into carbanionic (living) polymers, that can interact with particle filler such as carbon black and silica BRIDGESTONE CORPORATION (JP) 2008-06-26 US disclosed