SCHEMBL28544299

SCHEMBL28544299

CNCCCCC(=O)N(C)OC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX1 P07099 1/20 0.30
FAAH O00519 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
SCHEMBL21847057 0.95 KDM4A (0.36) KDM4AKDM4C
SCHEMBL5183458 0.73 PRMT3 (0.38)
SCHEMBL19914456 0.72 KDM4A (0.55) KDM4AKDM4CALDH1A1EPHX1
SCHEMBL20000719 0.71 KDM4A (0.38) KDM4AKDM4CALDH1A1
SCHEMBL12750810 0.71 KDM4A (0.42) KDM4AKDM4CALDH1A1MEN1KMT2A
SCHEMBL13292130 0.70 KDM4A (0.58) KDM4AKDM4CALDH1A1EPHX1
SCHEMBL20197677 0.70 KDM4A (0.40) KDM4AKDM4CALDH1A1
Hydrochloric Acid SCHEMBL25170217 0.69 KDM4A (0.45) KDM4AKDM4CALDH1A1MEN1KMT2A
SCHEMBL27580340 0.69 ALDH1A1 (0.38) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL13850925 0.69 ALDH1A1 (0.36) ALDH1A1POLBSMN1; SMN2MEN1KMT2A

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
CN-108707139-B Aminopyrimidine compound and preparation method and application thereof 北京鞍石生物科技有限责任公司 2021-04-06 CN disclosed