SCHEMBL28644208

SCHEMBL28644208

C[C@@H](N)c1cc(F)ccc1OCCCOC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CARM1 Q86X55 4/20 0.37
▸ PRMT6 Q96LA8 4/20 0.37
▸ PPARD Q03181 3/20 0.37
▸ PPARA Q07869 3/20 0.37
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ FAAH O00519 1/20 0.33
▸ PPARG P37231 1/20 0.33

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
SCHEMBL28644209 1.00 MEN1 (0.38) MEN1KMT2ACARM1PRMT6PPARD
SCHEMBL28644766 0.83 CARM1 (0.36) MEN1KMT2ACARM1PRMT6PPARD
SCHEMBL28857928 0.83 CYP1A2 (0.41) MEN1KMT2ACARM1PRMT6LMNA
SCHEMBL21494355 0.80 L3MBTL1 (0.38) MEN1KMT2ACARM1PRMT6KDM4E
SCHEMBL21494351 0.80 L3MBTL1 (0.38) MEN1KMT2ACARM1PRMT6KDM4E
SCHEMBL21494319 0.80 KDM4E (0.41) MEN1KMT2ACARM1PRMT6LMNA
SCHEMBL21494320 0.80 KDM4E (0.41) MEN1KMT2ACARM1PRMT6LMNA
SCHEMBL23070818 0.79 SMN1; SMN2 (0.37) MEN1KMT2ACARM1PRMT6LMNA
SCHEMBL23070821 0.79 SMN1; SMN2 (0.37) MEN1KMT2ACARM1PRMT6LMNA
SCHEMBL23070820 0.79 SMN1; SMN2 (0.37) MEN1KMT2ACARM1PRMT6LMNA

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-110386945-B Macrocyclic kinase inhibitor 广州白云山医药集团股份有限公司白云山制药总厂 2021-09-28 — — CN disclosed
Send feedback