SCHEMBL11232162

SCHEMBL11232162

Nc1cc(C(=O)c2ccccc2)ccc1NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 5/20 0.52
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
THRB P10828 2/20 0.50
HTT P42858 1/20 0.50
GFER P55789 1/20 0.50
PLEC Q15149 1/20 0.50
MAPK1 P28482 1/20 0.48
HDAC1 Q13547 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
PBRM1 Q86U86 1/20 0.46

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
SCHEMBL7993941 0.88 GAA (0.65) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL30535169 0.88 GAA (0.65) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL9725455 0.87 VNN1 (0.57) VNN1ALDH1A1KDM4EHDAC1HDAC3
SCHEMBL11789175 0.83 CFD (0.51) ALDH1A1KDM4EGAAHDAC1HDAC8
SCHEMBL15687652 0.83 CA1 (0.61) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL11232662 0.79 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL11741197 0.79 HDAC8 (0.50) VNN1HDAC1HDAC8HDAC6
SCHEMBL9256123 0.79 HDAC8 (0.47) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL11267256 0.78 PRKCI (0.65) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL29117538 0.78 KMT2A (0.59) GAAMAPTMAPK1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4310537-A ANTHELMINTICS AND FUNGICIDES ROHM AND HAAS COMPANY (US) 1982-01-12 US disclosed
US-4060636-A Acetyl- and carbalkoxythioureidobenzophenones as anthelmintic agents ROHM AND HAAS COMPANY (US) 1977-11-29 US disclosed