SCHEMBL5944565

SCHEMBL5944565

COCCc1n(CCOC)cc[n+]1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.39
APOBEC3A P31941 2/20 0.36
APOBEC3G Q9HC16 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.34
ACHE P22303 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30

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
SCHEMBL3457315 0.86 SMN1; SMN2 (0.35) HDAC8APOBEC3AAPOBEC3GKDM4ESMN1; SMN2
SCHEMBL3458197 0.83 APOBEC3A (0.45) HDAC8APOBEC3AAPOBEC3GKDM4ESMN1; SMN2
SCHEMBL5944692 0.79 MAPT (0.35) MEN1KMT2ACTDSP1
SCHEMBL3308268 0.78 ACHE (0.49) HDAC8ACHEMEN1KMT2AALDH1A1
SCHEMBL424276 0.76 HDAC8 (0.36) HDAC8ACHEMEN1KMT2AALDH1A1
SCHEMBL17706443 0.76 ACHE (0.35) APOBEC3AAPOBEC3GKDM4ESMN1; SMN2HTT
SCHEMBL5288352 0.73 HDAC8 (0.35) HDAC8APOBEC3AAPOBEC3GKDM4ESMN1; SMN2
SCHEMBL17706446 0.72 MEN1 (0.34) HDAC8SMN1; SMN2HTTACHEMEN1
SCHEMBL5290572 0.70 KMT2A (0.39) HDAC8APOBEC3AAPOBEC3GKDM4ESMN1; SMN2
SCHEMBL21490417 0.70 CA1 (0.38) HDAC8APOBEC3AAPOBEC3GKDM4ESMN1; SMN2

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
US-20060186419-A1 Light-emitting device KABUSHIKI KAISHA TOSHIBA (JP) 2006-08-24 US disclosed