SCHEMBL28402032

SCHEMBL28402032

CC(C)OC(=O)[C@](CC(C)(C)C)(NC(=O)OCc1ccccc1)c1ccc2nc(-c3cnn(C(F)F)c3)ccc2c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ELANE P08246 4/20 0.32
▸ AAK1 Q2M2I8 3/20 0.31
▸ TACR3 P29371 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ SCN9A Q15858 1/20 0.30
▸ RORC P51449 1/20 0.30
▸ EGFR P00533 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
SCHEMBL20908295 1.00 MEN1 (0.32) MEN1KMT2AELANEAAK1TACR3
SCHEMBL29640278 1.00 MEN1 (0.32) MEN1KMT2AELANEAAK1TACR3
SCHEMBL20908290 0.93 ELANE (0.30) ELANE
SCHEMBL21112505 0.93 TACR3 (0.33) MEN1KMT2AELANEAAK1TACR3
SCHEMBL21112509 0.93 TACR3 (0.33) MEN1KMT2AELANEAAK1TACR3
SCHEMBL29640279 0.83 MEN1 (0.37) MEN1KMT2AAAK1CTSSSCN9A
SCHEMBL21149567 0.83 MEN1 (0.37) MEN1KMT2AAAK1CTSSSCN9A
SCHEMBL20907698 0.83 MEN1 (0.37) MEN1KMT2AAAK1CTSSSCN9A
SCHEMBL20907560 0.82 MEN1 (0.37) MEN1KMT2AAAK1CTSSSCN9A
SCHEMBL28407708 0.82 MEN1 (0.37) MEN1KMT2AAAK1CTSSSCN9A

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-111212832-A 1-benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2020-05-29 — — CN disclosed
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