SCHEMBL7704549

SCHEMBL7704549

CCN(C(=O)c1nc(-c2ccc(C(C)(C)C)cc2)oc1-c1cccc(N(C)C)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
RECQL P46063 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.36
POLB P06746 1/20 0.36
IKBKB O14920 2/20 0.36
TP53 P04637 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL7702691 0.86 HPGD (0.43) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL7695167 0.85 MAPT (0.40) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL7700372 0.80 HPGD (0.41) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL7704094 0.79 MAPT (0.44) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL7693804 0.78 IKBKB (0.45) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL7700069 0.78 KDM4E (0.45) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL7695157 0.78 IKBKB (0.48) ALDH1A1MAPTKMT2AHPGDKDM4E
SCHEMBL7705474 0.77 IKBKB (0.42) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL7694123 0.77 KDM4E (0.53) ALDH1A1MAPTKMT2AHPGDKDM4E
SCHEMBL7704553 0.76 IKBKB (0.34) ALDH1A1KMT2AHPGDKDM4EHSD17B10

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