SCHEMBL4090053

SCHEMBL4090053

O=[C]Cc1ccccc1OCI

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
L3MBTL1 Q9Y468 7/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
ATM Q13315 2/20 0.33
KDM4E B2RXH2 4/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 3/20 0.33
THRB P10828 3/20 0.33
BLM P54132 3/20 0.33
KMT2A Q03164 3/20 0.33
TP53 P04637 2/20 0.33
ESR1 P03372 1/20 0.33
PKM P14618 1/20 0.33
ALOX12 P18054 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL910695 0.81 L3MBTL1 (0.59) MAPTL3MBTL1NPSR1ATMKDM4E
SCHEMBL4090252 0.81 L3MBTL1 (0.38) MAPTL3MBTL1NPSR1HPGDSMN1; SMN2
SCHEMBL4090048 0.81 L3MBTL1 (0.42) MAPTL3MBTL1NPSR1HPGDSMN1; SMN2
SCHEMBL7123270 0.78 HTR1A (0.61) MAPTL3MBTL1HPGDHTR1ADRD2
SCHEMBL910377 0.78 L3MBTL1 (0.51) MAPTL3MBTL1NPSR1HPGDSMN1; SMN2
SCHEMBL3202776 0.77 CYP1A2 (0.51) MAPTL3MBTL1NPSR1HPGDATM
SCHEMBL8943839 0.77 L3MBTL1 (0.61) MAPTL3MBTL1HPGDSMN1; SMN2KDM4E
SCHEMBL513917 0.77 SLC6A2 (0.42) MAPTL3MBTL1NPSR1SMN1; SMN2KDM4E
SCHEMBL188509 0.76 TAAR1 (0.57) MAPTL3MBTL1HPGDKDM4EALDH1A1
SCHEMBL9260429 0.74 MAPT (0.51) MAPTL3MBTL1NPSR1HPGDATM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170131-A1 Agents for Imaging Apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-07-02 US disclosed