SCHEMBL8969448

SCHEMBL8969448

CNC(=O)Oc1ccc2nc3ccccn3c(=N)c2c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.37
MAOA P21397 2/20 0.37
ALDH1A1 P00352 8/20 0.37
HSD17B10 Q99714 6/20 0.37
GAA P10253 6/20 0.37
MAPK1 P28482 3/20 0.37
PGR P06401 1/20 0.37
PTGS1 P23219 1/20 0.37
KDM4E B2RXH2 6/20 0.36
HPGD P15428 5/20 0.36
GLA P06280 4/20 0.36
CASP1 P29466 3/20 0.36
CASP7 P55210 3/20 0.36
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL8969928 0.80 ALDH1A1 (0.40) ALDH1A1HSD17B10GAAMAPK1KDM4E
SCHEMBL8969849 0.80 ALDH1A1 (0.41) ACHEMAOAALDH1A1HSD17B10GAA
SCHEMBL8969246 0.76 ALDH1A1 (0.47) ALDH1A1HSD17B10GAAKDM4EHPGD
SCHEMBL8969881 0.74 KDM4E (0.49) ALDH1A1HSD17B10GAAKDM4EHPGD
SCHEMBL8968941 0.68 MAPT (0.42) ALDH1A1GAAKDM4EMAPT
SCHEMBL8968491 0.68 KDM4E (0.42) ALDH1A1HSD17B10GAAKDM4EHPGD
SCHEMBL8968556 0.68 KDM4E (0.50) ALDH1A1HSD17B10GAAKDM4EHPGD
SCHEMBL8968369 0.65 GAA (0.44) ALDH1A1HSD17B10GAAMAPK1KDM4E
SCHEMBL8969177 0.65 KDM4E (0.50) ALDH1A1HSD17B10GAAMAPK1KDM4E
SCHEMBL8968968 0.64 KDM4E (0.53) ALDH1A1HSD17B10GAAKDM4EHPGD

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-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed