SCHEMBL23774662

SCHEMBL23774662

CN(C)c1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1C21OC(=O)c2c(C(=O)NCCOCCOCCCCCCCl)cccc21

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.34
▸ BACE1 P56817 1/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ TTR P02766 1/20 0.31
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ HPGD P15428 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL23774660 0.82 ALDH1A1 (0.39) KCNH2POLBKMT2AALDH1A1KDM4E
SCHEMBL23764878 0.78 ALDH1A1 (0.39) POLBKMT2AALDH1A1HPGDCYP3A4
SCHEMBL23774663 0.77 KCNH2 (0.35) KCNH2POLBKMT2AKDM4E
SCHEMBL31476377 0.77 KCNH2 (0.36) KCNH2POLBKMT2ATTR
SCHEMBL23764913 0.75 ALDH1A1 (0.41) POLBKMT2AALDH1A1HPGDKDM4E
SCHEMBL23764890 0.73 ALDH1A1 (0.35) KCNH2KMT2ATSHRALDH1A1HPGD
SCHEMBL23764877 0.73 — —
SCHEMBL23457107 0.73 ALDH1A1 (0.33) KMT2AALDH1A1HPGDCYP3A4HIF1A
SCHEMBL22085064 0.72 OPRM1 (0.34) KCNH2POLBKMT2ATSHRALDH1A1
SCHEMBL22086953 0.72 KCNH2 (0.36) KCNH2POLBKMT2ACRBNKDM4E

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-2021160732-A1 FLUORESCENT RHODAMINE DYES WITH ENHANCED CELL PERMEABILITY Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2021-08-19 — — WO disclosed
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