SCHEMBL11248309

SCHEMBL11248309

CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.80
THRB P10828 2/20 0.74
GAA P10253 4/20 0.69
TP53 P04637 5/20 0.61
PDE4B Q07343 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
RAD52 P43351 1/20 0.56
UHRF1 Q96T88 1/20 0.56
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
AURKA O14965 1/20 0.54
AURKB Q96GD4 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
SCHEMBL20435795 0.86 RAD52 (0.64) MAPTTHRBGAATP53SMN1; SMN2
SCHEMBL20435788 0.85 MAPT (0.68) MAPTTHRBGAATP53SMN1; SMN2
SCHEMBL32659740 0.84 MAPT (0.70) MAPTTHRBGAATP53PDE4B
SCHEMBL11244977 0.80 ALDH1A1 (0.78) MAPTGAATP53PDE4BSMN1; SMN2
Hydrochloric Acid SCHEMBL11248141 0.80 MAPT (0.65) MAPTGAATP53PDE4BSMN1; SMN2
Hydrochloric Acid SCHEMBL11254237 0.79 ALDH1A1 (0.80) MAPTGAATP53PDE4BSMN1; SMN2
SCHEMBL11229286 0.79 MAPT (0.70) MAPTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL11241812 0.79 MAPT (0.63) MAPTGAATP53PDE4BSMN1; SMN2
SCHEMBL20435782 0.79 MAPT (0.61) MAPTTHRBGAATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL11242923 0.78 MAPT (0.69) MAPTTP53SMN1; SMN2KDM4EALDH1A1

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-4343804-A 4-Amino-3-quinolinecarboxylic acids and esters-antisecretory anti-ulcer compounds A. H. ROBINS COMPANY, INC. (US) 1982-08-10 US disclosed