SCHEMBL8304877

SCHEMBL8304877

Cn1c(-c2cccs2)cc2c(F)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 3/20 0.38
THRB P10828 2/20 0.37
TSHR P16473 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
MAOA P21397 3/20 0.36
PRKCA P17252 1/20 0.36
GSK3B P49841 1/20 0.36
MAOB P27338 1/20 0.36
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL12278263 0.81 KDM4E (0.41) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL8308192 0.76 KMT2A (0.58) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL8310965 0.74 LMNA (0.50) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8308971 0.74 MAPT (0.43) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12279050 0.72 NR4A2 (0.38) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12278761 0.70 MAOA (0.41) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12278045 0.70 KDM4E (0.40) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18000203 0.70 GPR3 (0.41) MAPK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL9198888 0.68 KDM4E (0.46) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL29955794 0.68 GPR3 (0.36) MEN1KMT2AKDM4EMAPTTSHR

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