SCHEMBL10696947

SCHEMBL10696947

CC(C)(C)c1ccc2nc3c(c(Nc4ccc(Cl)cc4)c2c1)CCCC3

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.61
SOS1 Q07889 2/20 0.58
TP53 P04637 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 2/20 0.58
KMT2A Q03164 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
POLB P06746 3/20 0.55
GAA P10253 1/20 0.55
RAD52 P43351 1/20 0.55
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.52
TSHR P16473 1/20 0.52
BCHE P06276 1/20 0.49

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 0.91 ACHE (0.72) ACHETP53SMN1; SMN2MAPTKMT2A
SCHEMBL9253566 0.86 ACHE (0.64) ACHEKMT2AMEN1CYP1A2TSHR
SCHEMBL9253474 0.86 MEN1 (0.71) ACHETP53SMN1; SMN2MAPTKMT2A
SCHEMBL9257692 0.82 ACHE (0.72) ACHESOS1TP53SMN1; SMN2MAPT
SCHEMBL9252906 0.81 ACHE (0.60) ACHESOS1TP53SMN1; SMN2MAPT
SCHEMBL18038492 0.81 ACHE (0.63) ACHESOS1TP53SMN1; SMN2MAPT
SCHEMBL9252701 0.80 MAPT (0.63) ACHEMAPTPOLBGAATSHR
SCHEMBL9258030 0.79 ACHE (0.68) ACHECYP1A2TSHRBCHE
SCHEMBL9250740 0.78 ACHE (0.53) ACHETP53MAPTPOLBGAA
SCHEMBL9256916 0.77 ACHE (0.75) ACHEBCHE

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
EP-0282959-A2 Substituted 9-amino-tetrahydro-acridines and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-09-21 EP disclosed