SCHEMBL8305086

SCHEMBL8305086

Cn1c(-c2cccs2)cc2cc(N)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 2/20 0.46
NPC1 O15118 4/20 0.41
KDM4E B2RXH2 4/20 0.41
TP53 P04637 4/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.41
PRKCI P41743 1/20 0.41
MAOA P21397 4/20 0.40
MAOB P27338 2/20 0.39
THRB P10828 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 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 0.81 LMNA (0.50) NPC1KDM4ETP53RAB9AMAPT
SCHEMBL8308192 0.80 KMT2A (0.58) NPC1KDM4ERAB9AMAPTALDH1A1
SCHEMBL8307433 0.76 CYP19A1 (0.65) NPC1KDM4ETP53RAB9AMAPT
SCHEMBL12278263 0.76 KDM4E (0.41) NPC1KDM4ETP53RAB9AMAPT
SCHEMBL2421377 0.76 KMT2A (0.66) BRPF1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL12278045 0.74 KDM4E (0.40) NPC1KDM4ETP53RAB9AMAPT
SCHEMBL12278761 0.74 MAOA (0.41) NPC1KDM4ETP53RAB9AMAPT
SCHEMBL8308971 0.72 MAPT (0.43) NPC1KDM4ETP53RAB9AMAPT
SCHEMBL17199052 0.70 BRPF1 (0.47) BRPF1NPC1KDM4ERAB9AMAPT
SCHEMBL17199055 0.70 BRPF1 (0.47) BRPF1NPC1KDM4ETP53RAB9A

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