SCHEMBL8308971

SCHEMBL8308971

Cn1c(-c2cccs2)cc2ccc(F)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
TP53 P04637 2/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
MAPK14 Q16539 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
THRB P10828 3/20 0.39
POLB P06746 1/20 0.38
MAOA P21397 1/20 0.38
HKDC1 Q2TB90 1/20 0.37

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
SCHEMBL8310965 0.88 LMNA (0.50) MAPTTP53LMNAKDM4ENPC1
SCHEMBL8308192 0.80 KMT2A (0.58) MAPTLMNAKDM4ENPC1RAB9A
SCHEMBL12278045 0.77 KDM4E (0.40) MAPTTP53KDM4ENPC1RAB9A
SCHEMBL12278761 0.77 MAOA (0.41) MAPTTP53KDM4ENPC1RAB9A
SCHEMBL15353218 0.76 KMT2A (0.66) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8304877 0.74 MAPK1 (0.42) MAPTTP53LMNAKDM4ENPC1
SCHEMBL12278030 0.73 KDM4E (0.35) MAPTTP53KDM4ENPC1RAB9A
SCHEMBL12278065 0.73 MAOA (0.36) MAPTTP53KDM4ENPC1RAB9A
SCHEMBL12278263 0.72 KDM4E (0.41) MAPTTP53LMNAKDM4ENPC1
SCHEMBL8305086 0.72 BRPF1 (0.46) MAPTTP53KDM4ENPC1RAB9A

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