SCHEMBL11243825

SCHEMBL11243825

CCOC(=O)c1cnc2c(C#N)cccc2c1Nc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.59
TP53 P04637 3/20 0.58
GAA P10253 2/20 0.57
PDE4B Q07343 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAP2K1 Q02750 1/20 0.54
AURKA O14965 2/20 0.53
AURKB Q96GD4 2/20 0.53

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
Hydrochloric Acid SCHEMBL11245595 0.87 TP53 (0.57) MAPTTP53
SCHEMBL11229286 0.83 MAPT (0.70) MAPTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL11241812 0.83 MAPT (0.63) MAPTTP53GAAPDE4BSMN1; SMN2
Hydrochloric Acid SCHEMBL11242923 0.82 MAPT (0.69) MAPTTP53SMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11248141 0.81 MAPT (0.65) MAPTTP53GAAPDE4BSMN1; SMN2
SCHEMBL6195619 0.81 KMT2A (0.47) MAPTTP53KDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL11243373 0.81 ATP4A (0.59) MAPTALDH1A1
SCHEMBL528517 0.80 KMT2A (0.64) MAPTGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL11244977 0.80 ALDH1A1 (0.78) MAPTTP53GAAPDE4BSMN1; SMN2
Hydrochloric Acid SCHEMBL11254237 0.79 ALDH1A1 (0.80) MAPTTP53GAAPDE4BSMN1; SMN2

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