SCHEMBL17047899

SCHEMBL17047899

CC(C)Oc1ccc(C=Cc2nc(COCc3ccccn3)co2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 13/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MINK1 Q8N4C8 1/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL17047897 1.00 ERBB2 (0.40) ERBB2KDM4EALDH1A1SMN1; SMN2MINK1
SCHEMBL17047845 0.88 ERBB2 (0.49) ERBB2KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL17047844 0.88 ERBB2 (0.49) ERBB2KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL17047930 0.87 ERBB2 (0.40) ERBB2KDM4EALDH1A1SMN1; SMN2MINK1
SCHEMBL17047927 0.87 ERBB2 (0.40) ERBB2KDM4EALDH1A1SMN1; SMN2MINK1
SCHEMBL17047934 0.83 ERBB2 (0.47) ERBB2ALDH1A1MINK1
SCHEMBL17047935 0.83 ERBB2 (0.47) ERBB2ALDH1A1MINK1
SCHEMBL17047951 0.80 PPARG (0.49) TP53PPARGPPARA
SCHEMBL17047923 0.76 NPC1 (0.45) KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL17047922 0.76 NPC1 (0.45) KDM4EALDH1A1SMN1; SMN2MAPT

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-2015129755-A1 NOVEL COMPOUND AND TEXTURE IMPROVER CONTAINING SAID COMPOUND 味の素株式会社 2015-09-03 WO disclosed