SCHEMBL9259739

SCHEMBL9259739

CC(C)(C)c1ccc2nc3c(c(Nc4ccccc4)c2c1)CCCC3

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.72
KMT2A Q03164 4/20 0.67
NPSR1 Q6W5P4 3/20 0.67
POLB P06746 3/20 0.58
GAA P10253 3/20 0.57
RAD52 P43351 1/20 0.57
TP53 P04637 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
GFER P55789 2/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
MEN1 O00255 2/20 0.55
MAPT P10636 3/20 0.54

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
SCHEMBL9257692 0.92 ACHE (0.72) ACHEKMT2ANPSR1POLBGAA
SCHEMBL10696947 0.91 ACHE (0.61) ACHEKMT2ANPSR1POLBGAA
SCHEMBL9253474 0.89 MEN1 (0.71) ACHEKMT2AGAATP53SMN1; SMN2
SCHEMBL9249591 0.83 ACHE (0.75) ACHEKMT2AHTTMEN1
SCHEMBL13692554 0.81 KMT2A (0.97) ACHEKMT2ANPSR1POLBGAA
SCHEMBL9258030 0.81 ACHE (0.68) ACHE
SCHEMBL9250740 0.80 ACHE (0.53) ACHEPOLBGAARAD52TP53
SCHEMBL9259460 0.79 ACHE (0.71) ACHE
SCHEMBL9261276 0.78 ACHE (0.68) ACHEKMT2ANPSR1POLBGAA
SCHEMBL9253451 0.77 ACHE (0.67) ACHEKMT2ANPSR1POLBGAA

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-5391553-A Increasing cholinergic functionin mammals HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-02-21 US disclosed