SCHEMBL8028958

SCHEMBL8028958

COc1ccc(NC(=O)C(Nc2ccc(C(C)C)cc2)c2ccc(/C=C/C(O)Nc3ccccc3N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HDAC1 Q13547 11/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
HDAC3 O15379 4/20 0.44
HDAC4 P56524 4/20 0.44
HDAC7 Q8WUI4 4/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC10 Q969S8 4/20 0.44
HDAC11 Q96DB2 4/20 0.44
HDAC8 Q9BY41 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC9 Q9UKV0 4/20 0.44
HDAC5 Q9UQL6 4/20 0.44
EPHA2 P29317 1/20 0.44
RORC P51449 1/20 0.43
SNCA P37840 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
SCHEMBL3102633 0.88 HDAC1 (0.60) MAPTALDH1A1HDAC1MEN1KMT2A
SCHEMBL3102644 0.88 HDAC1 (0.60) MAPTALDH1A1HDAC1MEN1KMT2A
SCHEMBL3095720 0.83 HDAC1 (0.64) MAPTHDAC1MEN1KMT2ARAB9A
SCHEMBL3095711 0.83 HDAC1 (0.64) MAPTHDAC1MEN1KMT2ARAB9A
SCHEMBL3102723 0.82 HDAC1 (0.62) MAPTALDH1A1KDM4EHDAC1MEN1
SCHEMBL3102710 0.82 HDAC1 (0.62) MAPTALDH1A1KDM4EHDAC1MEN1
SCHEMBL3099557 0.78 HDAC1 (0.62) MAPTHDAC1MEN1KMT2ARAB9A
SCHEMBL3099541 0.78 HDAC1 (0.62) MAPTHDAC1MEN1KMT2ARAB9A
SCHEMBL3099458 0.74 EGFR (0.54) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL3099473 0.74 EGFR (0.54) HDAC1HDAC3HDAC4HDAC2HDAC8

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-2009095324-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-06 WO disclosed