SCHEMBL8307433

SCHEMBL8307433

Cn1c(-c2cccs2)cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.65
MAPT P10636 7/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
HTT P42858 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HCRTR1 O43613 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL2420496 0.79 CYP19A1 (1.00) CYP19A1MAPTRAB9AMEN1KMT2A
SCHEMBL8310965 0.76 LMNA (0.50) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8305086 0.76 BRPF1 (0.46) MAPTNPC1RAB9AKMT2ACYP1A2
SCHEMBL8308192 0.75 KMT2A (0.58) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL17199054 0.74 CYP19A1 (0.75) CYP19A1MAPTNPC1RAB9AMEN1
SCHEMBL17199051 0.74 CYP19A1 (0.75) CYP19A1MAPTRAB9AMEN1KMT2A
SCHEMBL23320529 0.74 CYP19A1 (0.74) CYP19A1MAPTRAB9AMEN1KMT2A
SCHEMBL30943221 0.74 CYP19A1 (0.66) CYP19A1MAPTNPC1RAB9AMEN1
SCHEMBL30943232 0.74 CYP19A1 (0.74) CYP19A1MAPTRAB9AMEN1KMT2A
SCHEMBL23320535 0.74 CYP19A1 (0.66) CYP19A1MAPTNPC1RAB9AMEN1

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