SCHEMBL21363735

SCHEMBL21363735

O=C(CCCN1C(=O)C=CC1=O)Nc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
MAPT P10636 5/20 0.50
KDM4E B2RXH2 5/20 0.50
HPGD P15428 3/20 0.50
HDAC1 Q13547 5/20 0.46
HDAC6 Q9UBN7 5/20 0.46
HDAC7 Q8WUI4 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
NCOR2 Q9Y618 2/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 5/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL21363333 0.85 KDM4E (0.55) ALDH1A1MAPTKDM4EHPGDHDAC1
SCHEMBL21363524 0.84 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EHPGDHDAC1
SCHEMBL9781616 0.81 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EHPGDHDAC1
SCHEMBL11416684 0.77 EP300 (0.60) ALDH1A1MAPTKDM4EHPGDHDAC1
SCHEMBL31713799 0.74 MEN1 (0.53) ALDH1A1MAPTKDM4EHDAC1HDAC6
SCHEMBL22019171 0.74 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EHPGDHDAC1
SCHEMBL12571786 0.73 ALDH1A1 (0.69) ALDH1A1MAPTKDM4EHPGDHDAC1
SCHEMBL2010962 0.73 ALDH1A1 (0.64) ALDH1A1MAPTKDM4EHPGDHDAC1
SCHEMBL31613217 0.73 ALDH1A1 (0.69) ALDH1A1MAPTKDM4EHPGDHDAC1
SCHEMBL1751717 0.73 ALDH1A1 (0.69) ALDH1A1MAPTKDM4EHPGDHDAC1

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-20190285576-A1 SEMICONDUCTOR SENSOR, METHOD FOR PRODUCING THE SAME, AND COMBINED SENSOR TORAY INDUSTRIES, INC. (JP) 2019-09-19 US disclosed