SCHEMBL28021914

SCHEMBL28021914

CCCC(C)(C)c1cccc(N)c1Nc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.39
GAA P10253 8/20 0.39
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CYP2C19 P33261 3/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2D6 P10635 1/20 0.39
TDP1 Q9NUW8 2/20 0.34
GFER P55789 2/20 0.34
ALOX12 P18054 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP3A4 P08684 2/20 0.33
PLK1 P53350 1/20 0.33
HTT P42858 1/20 0.33
IDO1 P14902 1/20 0.33
HPGD P15428 2/20 0.32

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
SCHEMBL27518609 0.79 MAPT (0.42) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL6470377 0.77 CNR1 (0.38) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL2013118 0.77 MAPT (0.41) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL886922 0.72 GAA (0.50) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL5613090 0.72 MAPT (0.49) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL11900726 0.69 CXCR2 (0.51) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL21634341 0.69 MAPT (0.39) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL8962174 0.67 GAA (0.41) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL4945534 0.65 MAPT (0.50) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL2126064 0.65 CYP2A6 (0.40) ALDH1A1CYP2C19KDM4ELMNACYP1A2

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
CN-104854149-A MULTICOMPONENT CATALYTIC SYSTEM, PROCESS FOR PREPARING SAME AND ISOPRENE POLYMERIZATION PROCESS USING SAME MICHELIN & CIE 2015-08-19 CN disclosed