SCHEMBL5555835

SCHEMBL5555835

CCOc1ccc(C2=NC(c3ccccc3Cl)(C3(c4ccccc4Cl)N=C(c4ccc(OCC)cc4OCC)C(c4ccc(OCC)cc4OCC)=N3)N=C2c2ccc(OCC)cc2OCC)c(OCC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CACNA2D1 P54289 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
DYRK1A Q13627 1/20 0.35
APOBEC3A P31941 1/20 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
SCHEMBL18776557 0.77 S1PR1 (0.39) TP53SMN1; SMN2KDM4EL3MBTL1KMT2A
SCHEMBL1425804 0.70 CYP2A6 (0.40) PDK2LMNATP53SMN1; SMN2L3MBTL1
SCHEMBL490759 0.69 SMN1; SMN2 (0.40) PDK2TP53SMN1; SMN2KDM4EKMT2A
SCHEMBL3789310 0.68 NQO1 (0.52) LMNATP53KDM4EL3MBTL1CYP3A4
SCHEMBL490794 0.67 RELA (0.40) LMNASMN1; SMN2KDM4EL3MBTL1KMT2A
SCHEMBL14085522 0.67 TP53 (0.49) PDK2LMNATP53SMN1; SMN2KDM4E
SCHEMBL490802 0.65 ALDH1A1 (0.41) PDK2TP53SMN1; SMN2KDM4EL3MBTL1
SCHEMBL10784591 0.65 SMN1; SMN2 (0.50) LMNATP53SMN1; SMN2L3MBTL1CYP3A4
SCHEMBL11268438 0.65 ALDH1A1 (0.43) LMNAKDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL3786617 0.65 NQO1 (0.52) LMNASMN1; SMN2KDM4EL3MBTL1KMT2A

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
EP-1803034-A2 HOLOGRAPHIC STORAGE MEDIUM General Electric Company (US) 2007-07-04 EP disclosed
WO-2006044243-A2 HOLOGRAPHIC STORAGE MEDIUM GENERAL ELECTRIC COMPANY A CORPORATION OF THE STATE OF NEW YORK (US) 2006-04-27 WO disclosed