SCHEMBL9253474

SCHEMBL9253474

COc1ccc(Nc2c3c(nc4ccc(C(C)(C)C)cc24)CCCC3)cc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
ACHE P22303 15/20 0.59
BCHE P06276 10/20 0.59
GAA P10253 1/20 0.54
GFER P55789 1/20 0.54
TP53 P04637 2/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9259739 0.89 ACHE (0.72) MEN1KMT2AACHEGAAGFER
SCHEMBL10696947 0.86 ACHE (0.61) MEN1KMT2AACHEBCHEGAA
SCHEMBL9257692 0.81 ACHE (0.72) MEN1KMT2AACHEGAAGFER
SCHEMBL9258030 0.77 ACHE (0.68) ACHEBCHE
SCHEMBL9250740 0.76 ACHE (0.53) ACHEBCHEGAATP53MAPT
SCHEMBL9259460 0.75 ACHE (0.71) ACHEBCHE
SCHEMBL9249591 0.75 ACHE (0.75) MEN1KMT2AACHEBCHE
SCHEMBL7945024 0.75 ACHE (0.72) ACHEBCHEMAPT
SCHEMBL13692613 0.73 KMT2A (0.85) MEN1KMT2AACHEBCHEGAA
SCHEMBL10696834 0.73 ACHE (0.62) MEN1KMT2AACHEBCHE

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