SCHEMBL7699962

SCHEMBL7699962

CN(C)c1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)NCCCN2CCOCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 3/20 0.48
GAA P10253 3/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
TP53 P04637 1/20 0.45
KDM4E B2RXH2 4/20 0.44
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4A O75164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL7700006 0.91 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL7696445 0.84 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL7703035 0.80 MAPT (0.50) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL7702181 0.79 MEN1 (0.44) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL7695335 0.77 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL29158637 0.77 HPGD (0.45) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL30106384 0.77 USP2 (0.45) ALDH1A1LMNAHTTTSHR
SCHEMBL7701183 0.76 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL13762069 0.75 ALDH1A1 (0.82) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL7695145 0.74 IKBKB (0.45) ALDH1A1LMNAHTTMAPTTP53

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-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed