SCHEMBL3958769

SCHEMBL3958769

CCc1cccc(CC)c1-c1cc(C)cc(C)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
RAPGEF4 Q8WZA2 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
HTT P42858 1/20 0.35
DHFR P00374 1/20 0.35
MEN1 O00255 2/20 0.34
NSD2 O96028 2/20 0.34
POLB P06746 2/20 0.34
THRB P10828 2/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
RECQL P46063 2/20 0.34
P2RY1 P47900 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL3955348 0.83 DHFR (0.47) KDM4EALDH1A1MAPTCYP1A1CYP1A2
SCHEMBL2176548 0.77 S1PR4 (0.41) KDM4EGABRA1GABRB2ALDH1A1MAPT
SCHEMBL3963317 0.73 ALDH1A1 (0.36) KDM4EALDH1A1MAPTCYP1A1CYP1A2
SCHEMBL2038792 0.73 ALDH1A1 (0.52) KDM4EALDH1A1MAPTHTTPOLB
SCHEMBL23932622 0.72 KDM4E (0.48) KDM4EALDH1A1MAPTRAPGEF4HTT
SCHEMBL28783084 0.70 GABRA1 (0.43) KDM4EGABRA1GABRB2ALDH1A1RAPGEF4
SCHEMBL13168835 0.69 ALDH1A1 (0.44) GABRA1GABRB2ALDH1A1MAPTMEN1
SCHEMBL9616535 0.69 NQO1 (0.38) KDM4EALDH1A1MAPTRAPGEF4CYP1A2
SCHEMBL29351040 0.69 CD44 (0.52) GABRA1GABRB2ALDH1A1MAPTCYP1A2
SCHEMBL755515 0.69 CD44 (0.52) GABRA1GABRB2ALDH1A1MAPTCYP1A2

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
WO-2009038006-A1 RANDOM COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed