SCHEMBL7185809

SCHEMBL7185809

CC(C)(C)c1cc(CCC(=O)N2CN(C(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CN(C(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CCc2nc(CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc(CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc(C(C)(C)C)c1O

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
GAA P10253 5/20 0.49
TDP1 Q9NUW8 2/20 0.41
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
ACHE P22303 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
SCHEMBL78349 0.91 KMT2A (0.69) KMT2AMEN1GAATDP1MAOB
SCHEMBL28022592 0.89 KMT2A (0.67) KMT2AMEN1GAATDP1MAOB
SCHEMBL10963429 0.82 KMT2A (0.69) KMT2AMEN1GAATDP1MAOB
SCHEMBL39496 0.82 ALDH1A1 (0.52) KMT2AMEN1GAATDP1KDM4E
SCHEMBL28493854 0.82 KMT2A (0.62) KMT2AMEN1GAATDP1MAOB
SCHEMBL8077617 0.80 KMT2A (0.66) KMT2AMEN1GAATDP1MAOB
SCHEMBL6360904 0.77 KMT2A (0.63) KMT2AMEN1GAATDP1MAOB
SCHEMBL8608828 0.76 GAA (0.65) KMT2AMEN1GAATDP1MAOB
SCHEMBL28925050 0.75 KMT2A (0.57) KMT2AMEN1GAATDP1MAOB
SCHEMBL10999565 0.74 KMT2A (0.49) KMT2AMEN1GAATDP1KDM4E

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-6569926-B1 Mixture containing epoxy compound and imidazolidone compoound CIBA SPECIALTY CHEMICALS CORPORATION 2003-05-27 US disclosed
US-5719257-A OBTAINED BY ANIONIC POLYMERIZATION OF DERIVATIVES OF 2,2,6,6-TETRAMETHYL-4-/2,3-EPOXYPROPOXY/PIPERIDINE CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-02-17 US disclosed