SCHEMBL6441995

SCHEMBL6441995

CCn1cc(C(=O)OC(C)(C)C)c(NC(=N)N)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 5/20 0.35
NPC1 O15118 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.33
NAMPT P43490 1/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAB9A P51151 3/20 0.32
MAPT P10636 2/20 0.32
JAK3 P52333 2/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
GAA P10253 1/20 0.31
RORC P51449 1/20 0.31

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
SCHEMBL6443407 0.86 GAA (0.34) NPC1LMNAPOLBRAB9AJAK2
SCHEMBL6441993 0.80 KDM4E (0.47) KDM4ESMN1; SMN2HTTALDH1A1NPC1
SCHEMBL31715017 0.74 MAPT (0.44) KDM4ESMN1; SMN2HTTALDH1A1NPC1
SCHEMBL29543930 0.68 GABRG2 (0.36) JAK2JAK1
SCHEMBL6445476 0.68 CNR2 (0.43)
SCHEMBL18138237 0.67 RORC (0.37) KDM4ESMN1; SMN2ALDH1A1NPC1L3MBTL1
SCHEMBL6472572 0.66 ACSS2 (0.33) KDM4ESMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL2704966 0.66 KMT2A (0.46) KDM4ESMN1; SMN2HTTALDH1A1MEN1
SCHEMBL3996358 0.66 NOS1 (0.33) ALDH1A1LMNA
SCHEMBL19256045 0.65 ALDH1A1 (0.39) KDM4ESMN1; SMN2HTTALDH1A1NPC1

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-1556389-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2005-07-27 EP disclosed
WO-2004039814-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2004-05-13 WO disclosed