SCHEMBL27780820

SCHEMBL27780820

CC=CN1c2cc(Cl)ccc2SC1C=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ HSD17B3 P37058 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ IDO1 P14902 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ BCHE P06276 1/20 0.30
▸ ACHE P22303 1/20 0.30

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
SCHEMBL27780815 0.72 MEN1 (0.35) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL28094908 0.69 GRIA1 (0.39) ALDH1A1LMNAKMT2AHSD17B3NOTUM
SCHEMBL27034742 0.63 GRIA1 (0.38) LMNAMAPTMEN1KMT2AIDO1
SCHEMBL1049587 0.59 GRIA1 (0.41) LMNAMAPTMEN1KMT2AIDO1
SCHEMBL27499375 0.58 GSK3B (0.38) KMT2A
SCHEMBL27652137 0.57 IDO1 (0.57) MAPTMEN1KMT2AIDO1BCHE
SCHEMBL27516784 0.57 MAOA (0.41) ALDH1A1BCHE
SCHEMBL13226849 0.57 FNTA (0.34) LMNAMAPTMEN1KMT2AIDO1
SCHEMBL28166968 0.56 DRD2 (0.44) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL13938144 0.55 BCHE (0.54) ALDH1A1LMNAMAPTMEN1KMT2A

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
CN-101516889-B Derivatives and analogs of n-ethylquinolones and n-ethylazaquinolones GLAXO GROUP LTD 2013-07-31 — — CN disclosed
CN-101516889-A Derivatives and analogs of n-ethylquinolones and n-ethylazaquinolones GLAXO GROUP LTD (GB) 2009-08-26 — — CN disclosed
Send feedback