SCHEMBL8310965

SCHEMBL8310965

Cn1c(-c2cccs2)cc2cc(F)ccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
TP53 P04637 4/20 0.50
RXFP1 Q9HBX9 2/20 0.48
MAPT P10636 3/20 0.47
THRB P10828 3/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MAPK14 Q16539 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAOA P21397 1/20 0.40

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
SCHEMBL8308971 0.88 MAPT (0.43) LMNATP53RXFP1MAPTTHRB
SCHEMBL8305086 0.81 BRPF1 (0.46) TP53MAPTTHRBKDM4EALDH1A1
SCHEMBL8308192 0.80 KMT2A (0.58) LMNAMAPTTHRBKDM4EALDH1A1
SCHEMBL8307433 0.76 CYP19A1 (0.65) LMNATP53MAPTTHRBKDM4E
SCHEMBL11688437 0.76 KMT2A (0.66) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12278263 0.76 KDM4E (0.41) LMNATP53MAPTTHRBKDM4E
SCHEMBL8304877 0.74 MAPK1 (0.42) LMNATP53MAPTTHRBKDM4E
SCHEMBL12278045 0.74 KDM4E (0.40) TP53MAPTTHRBKDM4EALDH1A1
SCHEMBL12278761 0.74 MAOA (0.41) TP53MAPTTHRBKDM4EALDH1A1
SCHEMBL9198888 0.69 KDM4E (0.46) LMNAMAPTKDM4EALDH1A1HPGD

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