SCHEMBL14767822

SCHEMBL14767822

NCC(=O)[C@H]1C[C@@H]1c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
HDAC4 P56524 1/20 0.56
SLC9A1 P19634 1/20 0.56
HPGD P15428 1/20 0.49
HTR2C P28335 7/20 0.48
HTR2B P41595 6/20 0.48
HTR2A P28223 4/20 0.48
MAOB P27338 2/20 0.48
DEGS1 O15121 1/20 0.47
FFAR1 O14842 1/20 0.47
NAMPT P43490 1/20 0.46
SIGMAR1 Q99720 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
SCHEMBL14038424 0.81 HDAC4 (0.56) ALDH1A1HDAC4SLC9A1HPGDDEGS1
SCHEMBL13911289 0.81 HDAC4 (0.56) ALDH1A1HDAC4SLC9A1HPGDDEGS1
SCHEMBL6560499 0.81 HDAC4 (0.56) ALDH1A1HDAC4SLC9A1HPGDDEGS1
SCHEMBL26290355 0.81 HDAC4 (0.56) ALDH1A1HDAC4SLC9A1HPGDDEGS1
SCHEMBL14038418 0.81 HDAC4 (0.56) ALDH1A1HDAC4SLC9A1HPGDDEGS1
SCHEMBL5816055 0.79 SLC9A1 (0.66) ALDH1A1HDAC4SLC9A1HPGDHTR2C
SCHEMBL12836827 0.79 SLC9A1 (0.66) ALDH1A1HDAC4SLC9A1HPGDHTR2C
SCHEMBL4130704 0.79 SLC9A1 (0.66) ALDH1A1HDAC4SLC9A1HPGDHTR2C
SCHEMBL871538 0.79 SLC9A1 (0.66) ALDH1A1HDAC4SLC9A1HPGDHTR2C
SCHEMBL1224903 0.79 SLC9A1 (0.66) ALDH1A1HDAC4SLC9A1HPGDHTR2C

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
EP-2567959-A1 6-(4-Hydroxy-phenyl)-3-styryl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors SANOFI (FR) 2013-03-13 EP disclosed