SCHEMBL5083013

SCHEMBL5083013

Cc1ccc(NNc2c(C)cccc2C)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.52
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 4/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 2/20 0.40
ALOX12 P18054 1/20 0.40
GBA1 P04062 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2A6 P11509 1/20 0.39
PTGS2 P35354 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL9224379 0.85 RAPGEF4 (0.60) RAPGEF4KMT2AMEN1GAAALDH1A1
SCHEMBL11124720 0.84 GAA (0.52) RAPGEF4KMT2AMEN1GAAALDH1A1
SCHEMBL10830778 0.82 GAA (0.55) RAPGEF4KMT2AMEN1GAAALDH1A1
SCHEMBL770140 0.78 CYP1A2 (0.47) RAPGEF4KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL9494016 0.77 GAA (0.57) RAPGEF4KMT2AMEN1GAAALDH1A1
SCHEMBL9224278 0.76 ALDH1A1 (0.51) RAPGEF4KMT2AMEN1GAAALDH1A1
SCHEMBL11335287 0.74 RAPGEF4 (0.54) RAPGEF4KMT2AMEN1GAAALDH1A1
SCHEMBL11334772 0.72 RAPGEF4 (0.52) RAPGEF4KMT2AMEN1GAAALDH1A1
SCHEMBL12819946 0.72 RAPGEF4 (0.52) RAPGEF4KMT2AMEN1GAAALDH1A1
SCHEMBL11774359 0.72 RAPGEF4 (0.52) RAPGEF4KMT2AMEN1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080177002-A1 Thermoplastic Resin Composition, Optical Film, And Process For Producing Film JSR CORPORATION (JP) 2008-07-24 US disclosed