SCHEMBL5840134

SCHEMBL5840134

CC(=CC(C)Nc1c(C)cccc1C)Nc1c(C)cccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MEN1 O00255 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
KMT2A Q03164 2/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
ANPEP P15144 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 3/20 0.36

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
SCHEMBL5840123 1.00 ATM (0.39) ATML3MBTL1ALDH1A1GRIN2DGRIN3B
SCHEMBL5839040 0.78 KMT2A (0.45) MEN1CYP1A2KMT2ALMNAHTR2B
SCHEMBL5839035 0.78 KMT2A (0.45) MEN1CYP1A2KMT2ALMNAHTR2B
Bromide SCHEMBL4137968 0.73 POLB (0.41) ATML3MBTL1ALDH1A1GRIN2DGRIN3B
Bromide SCHEMBL4137969 0.73 POLB (0.41) ATML3MBTL1ALDH1A1GRIN2DGRIN3B
SCHEMBL1004808 0.69 ALDH1A1 (0.40) ATML3MBTL1ALDH1A1GRIN2DGRIN3B
SCHEMBL10037103 0.68 TDP1 (0.44) ATML3MBTL1ALDH1A1GRIN2DGRIN3B
SCHEMBL11170832 0.68 CYP1A2 (0.39) ATML3MBTL1ALDH1A1GRIN2DGRIN3B
SCHEMBL11174052 0.68 CYP1A2 (0.39) ATML3MBTL1ALDH1A1GRIN2DGRIN3B
SCHEMBL11596184 0.67 ALOX12 (0.39) ATML3MBTL1ALDH1A1GRIN2DGRIN3B

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-6992034-B2 Catalyst component for olefin polymerization FORMOSA PLASTICS CORPORATION, U.S.A. (US) 2006-01-31 US disclosed
US-20050009690-A1 Catalyst component for olefin polymerization FORMOSA PLASTICS CORPORATIONS, U.S.A. 2005-01-13 US disclosed