SCHEMBL27693308

SCHEMBL27693308

Nc1c(O)ccn1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ HTT P42858 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NOTUM Q6P988 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HTR6 P50406 1/20 0.42
▸ EGLN1 Q9GZT9 2/20 0.42
▸ VEGFA P15692 1/20 0.42
▸ ADRA1D P25100 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ DBH P09172 1/20 0.41

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
SCHEMBL27693081 0.85 HTR6 (0.50) HDAC8HDAC6HTTLMNAMEN1
SCHEMBL27712752 0.82 PLAU (0.50) HDAC8HDAC6LMNAKDM4ESMN1; SMN2
SCHEMBL27712747 0.78 ALOX15 (0.39) HTTLMNAKDM4EMEN1POLB
SCHEMBL27650895 0.76 ALDH1A1 (0.42) HDAC8HDAC6HTTLMNAKDM4E
SCHEMBL27970803 0.73 ALDH1A1 (0.51) HTTKDM4ESMN1; SMN2MEN1POLB
SCHEMBL4392960 0.72 MAPK14 (0.60) HDAC8HDAC6HTTLMNAKDM4E
SCHEMBL27838313 0.69 HDAC8 (0.61) HDAC8HDAC6HTTLMNAKDM4E
SCHEMBL27529223 0.69 ALDH1A1 (0.52) HDAC8HDAC6KDM4ESMN1; SMN2NOTUM
SCHEMBL4468724 0.69 LMNA (0.58) HDAC8HDAC6HTTLMNAKDM4E
SCHEMBL28250545 0.69 NOTUM (0.57) HTTLMNAKDM4ETP53CYP2D6

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
CN-101010062-A Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2007-08-01 — — CN disclosed
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