SCHEMBL5207426

SCHEMBL5207426

CC(C)(C)COC(=O)Nc1ccc2[nH]c(-c3ccccc3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
SMN1; SMN2 Q16637 6/20 0.50
MAPT P10636 4/20 0.50
TP53 P04637 2/20 0.50
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
HPSE Q9Y251 2/20 0.46
POLB P06746 4/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 2/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
DGAT1 O75907 1/20 0.46
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46

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
SCHEMBL5189432 0.88 DGAT1 (0.59) KDM4ESMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL5190823 0.85 KDM4E (0.53) KDM4ESMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL5189138 0.85 SMN1; SMN2 (0.53) KDM4ESMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL2977835 0.84 KDM4E (0.42) KDM4ESMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL5189308 0.83 MMP2 (0.48) KDM4ESMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL5272080 0.80 KCNQ2 (0.60) KDM4ESMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL5188247 0.80 HPSE (0.58) KDM4ESMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL5202947 0.79 MEN1 (0.50) KDM4ESMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL2245457 0.77 MMP2 (0.58) KDM4ESMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL4480173 0.77 DGAT1 (0.60) KDM4ESMN1; SMN2MAPTTP53ALDH1A1

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-1831218-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-09-12 EP disclosed
WO-2006066914-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed