SCHEMBL8304311

SCHEMBL8304311

Cn1c(-c2cccc(-c3cc4ccccc4n3C)c2)cc2ccccc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.81
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
MAPT P10636 4/20 0.56
HPGD P15428 3/20 0.56
MEN1 O00255 2/20 0.56
RECQL P46063 1/20 0.56
APP P05067 4/20 0.54
ADRA2A P08913 1/20 0.53
PTGES2 Q9H7Z7 1/20 0.51
CYP19A1 P11511 1/20 0.47
DAO P14920 1/20 0.46
MCL1 Q07820 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FASN P49327 1/20 0.43
HSD17B10 Q99714 1/20 0.42
CA12 O43570 2/20 0.42

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
SCHEMBL29581156 0.90 KMT2A (1.00) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL214075 0.90 KMT2A (1.00) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL11663415 0.89 KMT2A (0.71) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL11663451 0.88 KMT2A (0.69) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL20476664 0.88 KMT2A (0.69) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL29933328 0.88 KMT2A (0.69) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL11687991 0.86 KMT2A (0.92) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL10103705 0.85 KMT2A (0.76) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL28275724 0.85 KMT2A (0.65) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL11685259 0.85 KMT2A (0.70) KMT2AALDH1A1KDM4EMAPTHPGD

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
EP-0650599-B1 METHOD OF COLORIMETRIC ANALYSIS OF MALONIC DIALDEHYDE AND 4-HYDROXY-2-ENALDEHYDES AS INDEXES OF LIPID PEROXIDATION, KITS FOR CARRYING OUT SAID METHOD, SUBSTITUTED INDOLES FOR USE IN SAID METHOD AND THEIR PREPARATION OXIS ISLE OF MAN LIMITED (GB) 1999-11-03 EP disclosed
US-5726063-A Method of colorimetric analysis of malonic dialdehyde and 4-hydroxy-2-enaldehydes as indexes of lipid peroxidation, kits for carrying out said method, substituted indoles for use in said method and their preparation OXIS ISLE OF MAN, LIMITED (US) 1998-03-10 US disclosed