SCHEMBL20907590

SCHEMBL20907590

CC(C)OC(=O)C(N)(CC(C)(C)C)c1ccc(Br)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KIF11 P52732 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31
▸ PDE2A O00408 1/20 0.31

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
SCHEMBL28407685 1.00 MEN1 (0.35) MEN1KMT2APTPN1LMNAHTT
SCHEMBL29640222 0.82 MEN1 (0.33) MEN1KMT2APTPN1LMNAHTT
SCHEMBL20908244 0.82 MEN1 (0.33) MEN1KMT2APTPN1LMNAHTT
SCHEMBL21148947 0.82 MEN1 (0.33) MEN1KMT2APTPN1LMNAHTT
SCHEMBL20908058 0.82 KMT2A (0.40) MEN1KMT2APTPN1LMNAHTT
SCHEMBL21112213 0.82 CYP1A2 (0.38) MEN1KMT2AKIF11
SCHEMBL20899732 0.82 CYP1A2 (0.38) MEN1KMT2AKIF11
SCHEMBL20907565 0.82 KMT2A (0.40) MEN1KMT2APTPN1LMNAHTT
SCHEMBL20907878 0.79 PTPN1 (0.41) MEN1KMT2APTPN1LMNAHTT
SCHEMBL21149522 0.79 PTPN1 (0.41) MEN1KMT2APTPN1LMNAHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111212832-B 1-Benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2023-09-15 — — CN disclosed
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
WO-2019075291-A1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-04-18 — — WO disclosed
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