SCHEMBL22955673

SCHEMBL22955673

CN(C)c1ccc(C(=O)c2c[nH]c3ccc(Cl)cc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.58
F3 P13726 1/20 0.58
NR4A2 P43354 1/20 0.56
NHERF1 O14745 5/20 0.51
PYGL P06737 1/20 0.48
MAP2 P11137 1/20 0.47
SNCA P37840 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL2980996 0.85 F7 (0.63) F7F3NR4A2NHERF1PYGL
SCHEMBL22955669 0.82 F7 (0.71) F7F3NR4A2NHERF1PYGL
SCHEMBL22955672 0.82 NPSR1 (0.67) F7F3NR4A2NHERF1PYGL
SCHEMBL209351 0.80 F7 (0.69) F7F3NR4A2NHERF1PYGL
SCHEMBL22955346 0.79 F7 (0.58) F7F3NR4A2NHERF1PYGL
SCHEMBL22955347 0.79 F7 (0.58) F7F3NR4A2NHERF1PYGL
SCHEMBL7461245 0.78 F7 (0.65) F7F3NR4A2NHERF1PYGL
SCHEMBL22955527 0.76 F7 (0.58) F7F3NR4A2NHERF1MAPT
SCHEMBL22956061 0.76 F7 (0.55) F7F3NR4A2NHERF1PYGL
SCHEMBL22955671 0.76 TRPV1 (0.61) F7F3NR4A2NHERF1PYGL

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
WO-2021022061-A1 ARYL HYDROCARBON RECEPTOR ACTIVATORS OREGON STATE UNIVERSITY (US) 2021-02-04 WO disclosed