SCHEMBL9249591

SCHEMBL9249591

CC(C)(C)c1ccc2nc3c(c(NCc4ccccc4)c2c1)CCCC3

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.75
KDM4E B2RXH2 1/20 0.65
MEN1 O00255 1/20 0.65
HTT P42858 1/20 0.65
KMT2A Q03164 1/20 0.65
BCHE P06276 5/20 0.63
BACE1 P56817 1/20 0.63
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57

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
SCHEMBL9257216 0.92 ACHE (0.76) ACHEKDM4EMEN1HTTKMT2A
SCHEMBL10696834 0.91 ACHE (0.62) ACHEKDM4EMEN1HTTKMT2A
SCHEMBL9253566 0.91 ACHE (0.64) ACHEKDM4EMEN1HTTKMT2A
SCHEMBL9258030 0.83 ACHE (0.68) ACHEBCHECYP1A2
SCHEMBL9259739 0.83 ACHE (0.72) ACHEMEN1HTTKMT2A
SCHEMBL3366446 0.82 KDM4E (0.92) ACHEKDM4EMEN1HTTKMT2A
SCHEMBL9259460 0.81 ACHE (0.71) ACHEBCHE
SCHEMBL9260517 0.81 ACHE (0.70) ACHEKDM4EMEN1HTTKMT2A
SCHEMBL9255955 0.80 ACHE (0.69) ACHEKDM4EMEN1HTTKMT2A
SCHEMBL9259449 0.80 ACHE (0.69) ACHEKDM4EMEN1HTTKMT2A

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