SCHEMBL28090599

SCHEMBL28090599

Nc1nn(-c2ccc(Cl)cc2)nc1C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
THRB P10828 1/20 0.58
KDM4E B2RXH2 6/20 0.57
ALDH1A1 P00352 6/20 0.57
HPGD P15428 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57
HDAC1 Q13547 3/20 0.51
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ADORA2A P29274 5/20 0.49
MAOB P27338 3/20 0.48
GAA P10253 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 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
SCHEMBL28090537 0.90 KDM4E (0.71) MAPTTHRBKDM4EALDH1A1HPGD
SCHEMBL28090832 0.86 ALDH1A1 (0.57) MAPTTHRBKDM4EALDH1A1HPGD
SCHEMBL28090837 0.86 ALDH1A1 (0.57) MAPTTHRBKDM4EALDH1A1HPGD
SCHEMBL28090870 0.83 KDM4E (0.55) MAPTTHRBKDM4EALDH1A1HPGD
SCHEMBL28090875 0.82 ALDH1A1 (0.69) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL28090534 0.80 ADORA2A (0.63) MAPTTHRBKDM4EALDH1A1HPGD
SCHEMBL28090518 0.77 MAPT (0.54) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL13667898 0.76 MAPT (0.57) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL28090523 0.75 MAPT (0.44) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL1759145 0.75 KDM4E (0.77) MAPTTHRBKDM4EALDH1A1HPGD

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-106187923-A 2 aryl 4 aroyl triazole compounds and application thereof 沈阳药科大学 2016-12-07 CN disclosed