SCHEMBL28090518

SCHEMBL28090518

Nc1nn(-c2cccc(Br)c2)nc1C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
ALDH1A1 P00352 3/20 0.54
HTT P42858 1/20 0.54
KDM4E B2RXH2 4/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
ADORA2A P29274 5/20 0.47
MAOB P27338 2/20 0.45
HDAC1 Q13547 5/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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 0.86 KDM4E (0.71) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL28090837 0.85 ALDH1A1 (0.57) MAPTALDH1A1HTTKDM4EMEN1
SCHEMBL28090536 0.77 SMN1; SMN2 (0.50) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL28090870 0.77 KDM4E (0.55) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL28090599 0.77 MAPT (0.58) MAPTALDH1A1HTTKDM4EMEN1
SCHEMBL28090832 0.77 ALDH1A1 (0.57) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL28832969 0.77 KDM4E (0.47) MAPTALDH1A1HTTKDM4EMEN1
SCHEMBL28090875 0.74 ALDH1A1 (0.69) MAPTALDH1A1HTTKDM4EMEN1
SCHEMBL6314635 0.73 PKM (0.71) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1759145 0.72 KDM4E (0.77) MAPTALDH1A1KDM4EMEN1KMT2A

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