SCHEMBL20677688

SCHEMBL20677688

CCN(CC)c1ccc2c(C)c(-c3cccc(N=C=S)c3N=C=S)c(=O)oc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.53
▸ KDM4E B2RXH2 7/20 0.53
▸ HPGD P15428 5/20 0.53
▸ L3MBTL1 Q9Y468 5/20 0.53
▸ MAPT P10636 5/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HTT P42858 5/20 0.50
▸ TDP1 Q9NUW8 4/20 0.50
▸ EP300 Q09472 1/20 0.48
▸ ATM Q13315 6/20 0.48
▸ GLA P06280 6/20 0.48
▸ GAA P10253 2/20 0.48
▸ KLK7 P49862 1/20 0.48
▸ CASP1 P29466 5/20 0.44
▸ CASP7 P55210 5/20 0.44
▸ HSD17B10 Q99714 5/20 0.44
▸ LMNA P02545 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ MEN1 O00255 5/20 0.44

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
SCHEMBL9341138 0.82 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDL3MBTL1MAPT
SCHEMBL13869633 0.81 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDL3MBTL1MAPT
SCHEMBL37694 0.79 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDL3MBTL1MAPT
SCHEMBL29351705 0.79 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDL3MBTL1MAPT
Ethylene SCHEMBL28055534 0.77 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDL3MBTL1MAPT
SCHEMBL13869289 0.74 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDL3MBTL1MAPT
SCHEMBL14160779 0.74 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDL3MBTL1MAPT
SCHEMBL13869376 0.74 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDL3MBTL1MAPT
SCHEMBL5590828 0.73 ALDH1A1 (0.78) ALDH1A1KDM4EHPGDL3MBTL1MAPT
SCHEMBL13869309 0.73 ALDH1A1 (0.86) ALDH1A1KDM4EHPGDL3MBTL1MAPT

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-20190032132-A1 METHODS FOR PREVENTING OR REDUCING ACUTE KIDNEY INJURY HEALTHSPAN DX 2019-01-31 — — US disclosed
Send feedback