SCHEMBL4574357

SCHEMBL4574357

C=CCc1c(C(=O)OCC)cn2c(C)c(C)nc2c1O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
HSD17B10 Q99714 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 3/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 4/20 0.41
GLA P06280 2/20 0.41
HPGD P15428 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
RAB9A P51151 2/20 0.39
HIF1A Q16665 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.37
ALOX15 P16050 2/20 0.36
MAPK1 P28482 2/20 0.36
HCRTR1 O43613 1/20 0.36
TP53 P04637 1/20 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
SCHEMBL5563484 0.83 KMT2A (0.39) KDM4EHSD17B10SMN1; SMN2GAATSHR
Iodide SCHEMBL5323160 0.82 KMT2A (0.38) KDM4EHSD17B10SMN1; SMN2GAATSHR
Dimethylamine SCHEMBL5563488 0.79 ALOX15 (0.40) KDM4EHSD17B10SMN1; SMN2GAATSHR
SCHEMBL5330704 0.77 SMN1; SMN2 (0.43) KDM4EHSD17B10SMN1; SMN2GAATSHR
SCHEMBL5324400 0.76 SMN1; SMN2 (0.42) KDM4EHSD17B10SMN1; SMN2GAATSHR
SCHEMBL12126788 0.70 CA12 (0.46) KDM4EHSD17B10GAATSHRALDH1A1
SCHEMBL4574508 0.70 KDM4E (0.39) KDM4EHSD17B10SMN1; SMN2GAAALDH1A1
SCHEMBL4573822 0.69 CA12 (0.48) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL31563754 0.68 KDM4E (0.51) KDM4EHSD17B10SMN1; SMN2GAATSHR
SCHEMBL31563757 0.68 KDM4E (0.51) KDM4EHSD17B10SMN1; SMN2GAATSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008071766-A2 SPIRO-INDENE SUBSTITUTED IMIDAZONAPHYTHYRIDINE AND PYRANOIMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF GASTRIC ACID SECRETION NYCOMED GMBH (DE) 2008-06-19 WO disclosed