SCHEMBL8320922

SCHEMBL8320922

COC(=O)c1ccc(OC)c(N/C(=N/Cl)c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
ALDH1A1 P00352 3/20 0.52
PKM P14618 1/20 0.50
MAPT P10636 4/20 0.49
POLB P06746 3/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.48
BLM P54132 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
PYGL P06737 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL14614516 0.86 KMT2A (0.53) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL4626706 0.85 MEN1 (0.58) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL4627652 0.84 HDAC8 (0.56) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2033537 0.84 MEN1 (0.74) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL4627896 0.84 HDAC1 (0.54) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL4627898 0.84 HDAC1 (0.54) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL4627655 0.84 HDAC8 (0.56) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2032563 0.81 GAA (0.64) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL4628354 0.77 HDAC8 (0.60) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL4628357 0.77 HDAC8 (0.60) MEN1KMT2AALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179832-B2 Glycogen synthase kinase 3β inhibitor, composition and process for the preparation thereof CRYSTALGENOMICS, INC. (KR) 2007-02-20 US disclosed
US-7179832-B2 Glycogen synthase kinase 3β inhibitor, composition and process for the preparation thereof CRYSTALGENOMICS, INC. (KR) 2007-02-20 US disclosed
WO-2004065370-A1 GLYCOGEN SYNTHASE KINASE 3BETA INHIBITOR, COMPOSITION AND PROCESS FOR THE PREPARATION THEREOF CRYSTALGENOMICS, INC. (KR) 2004-08-05 WO disclosed