SCHEMBL1801792

SCHEMBL1801792

Clc1cccc(CNC2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.76
BACE1 P56817 12/20 0.76
BCHE P06276 10/20 0.76
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
CARM1 Q86X55 1/20 0.69
PRMT6 Q96LA8 1/20 0.69
SIGMAR1 Q99720 2/20 0.65
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
GLA P06280 1/20 0.63
GAA P10253 1/20 0.63
MAPT P10636 1/20 0.63
HTT P42858 1/20 0.63
ATM Q13315 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
HTR5A P47898 1/20 0.60

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
SCHEMBL14367985 0.87 ACHE (1.00) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL7695958 0.86 HTR5A (0.77) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL1803081 0.86 ACHE (1.00) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL28097152 0.85 ACHE (0.62) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL64031 0.83 CARM1 (0.63) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL7696157 0.83 ACHE (0.70) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL16854472 0.82 CARM1 (0.57) ACHEBACE1BCHEMEN1KMT2A
Hydrochloric Acid SCHEMBL21879607 0.82 CARM1 (0.62) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL18658127 0.82 ACHE (0.77) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL4036986 0.81 ACHE (0.76) ACHEBACE1BCHEMEN1KMT2A

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
WO-2011060271-A1 SCREENING FOR INHIBITORS OF P. FALCIPARUM USING LUCIFERASE BASED HIGH THROUGHPUT SCREENING ASSAY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-05-19 WO disclosed
WO-2011060271-A1 SCREENING FOR INHIBITORS OF P. FALCIPARUM USING LUCIFERASE BASED HIGH THROUGHPUT SCREENING ASSAY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-05-19 WO disclosed