SCHEMBL10351995

SCHEMBL10351995

Cc1ccc2nc3c(c(N)c2c1)C(=O)CC(C)(C)C3

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
KDM4E B2RXH2 4/20 0.70
HPGD P15428 2/20 0.70
GLA P06280 1/20 0.70
GAA P10253 1/20 0.70
HSD17B10 Q99714 1/20 0.70
ACHE P22303 5/20 0.49
BCHE P06276 4/20 0.49
GRIN1 Q05586 4/20 0.49
GRIN2A Q12879 4/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CYP2C19 P33261 1/20 0.40

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
SCHEMBL10351216 0.90 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL8870944 0.82 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL10350723 0.79 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL10848027 0.78 ACHE (0.66) ALDH1A1KDM4EACHEBCHEGRIN1
SCHEMBL10351232 0.78 KDM4E (0.68) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL10351811 0.76 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL10350749 0.75 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL10351438 0.75 ACHE (0.64) ACHEBCHEGRIN1GRIN2ARAD52
SCHEMBL10350717 0.74 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL10350724 0.74 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDGLAGAA

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-0371388-A2 Acridine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-06-06 EP disclosed