SCHEMBL21564682

SCHEMBL21564682

CSN1CCN(c2nc(CCCO)cn(-c3ccc(C#N)cc3)c2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.34
KDM1A O60341 2/20 0.34
HTR1A P08908 8/20 0.32
GRIA1 P42261 1/20 0.31
CYP11B2 P19099 2/20 0.31
CYP11B1 P15538 1/20 0.31
CHEK1 O14757 1/20 0.31
AOC3 Q16853 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL21564542 0.90 KDM1A (0.36) KDM1AHTR1AGRIA1CHEK1AOC3
SCHEMBL21564544 0.88 KDM1A (0.34) NOTUMKDM1ATP53
SCHEMBL21564667 0.87 ALDH1A1 (0.33) KDM4E
SCHEMBL21552894 0.85 EP300 (0.40) NOTUMKDM1AHTR1AKDM4EADORA2A
SCHEMBL21564561 0.85 TLR8 (0.40) KDM4E
SCHEMBL21564890 0.85 ALDH1A1 (0.40) NOTUMGRIA1CYP11B2KDM4E
SCHEMBL26036663 0.83 ALDH1A1 (0.35) NOTUMKDM1AHTR1AGRIA1CYP11B2
SCHEMBL21552997 0.78 EP300 (0.40) NOTUMCYP11B2CYP11B1
SCHEMBL23258228 0.76 KDM4E (0.37) KDM1AHTR1AKDM4E
SCHEMBL21564847 0.75 SLC6A2 (0.32)

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
WO-2019217972-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. (US) 2019-11-14 WO disclosed