SCHEMBL9252906

SCHEMBL9252906

Clc1ccc(Nc2c3c(nc4ccc(C5CC5)cc24)CCCC3)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.60
SOS1 Q07889 2/20 0.57
TP53 P04637 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 3/20 0.51
POLB P06746 3/20 0.51
GAA P10253 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
RAD52 P43351 1/20 0.51
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
GFER P55789 1/20 0.47
BCHE P06276 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46

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
SCHEMBL9261276 0.90 ACHE (0.68) ACHETP53SMN1; SMN2MAPTKMT2A
SCHEMBL9253451 0.86 ACHE (0.67) ACHETP53SMN1; SMN2MAPTKMT2A
SCHEMBL9252705 0.85 ACHE (0.65) ACHETP53SMN1; SMN2MAPTKMT2A
SCHEMBL9256060 0.84 TP53 (0.60) ACHESOS1TP53SMN1; SMN2MAPT
SCHEMBL10699871 0.84 ACHE (0.65) ACHETP53SMN1; SMN2MAPTKMT2A
SCHEMBL9263594 0.81 ACHE (0.69) ACHESOS1TP53SMN1; SMN2MAPT
SCHEMBL9259427 0.81 ACHE (0.49) ACHETP53SMN1; SMN2KMT2APOLB
SCHEMBL10696947 0.81 ACHE (0.61) ACHESOS1TP53SMN1; SMN2MAPT
SCHEMBL9252813 0.78 ACHE (0.64) ACHEBCHE
SCHEMBL18038492 0.77 ACHE (0.63) ACHESOS1TP53SMN1; SMN2MAPT

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