SCHEMBL27872649

SCHEMBL27872649

O=CN(c1cnccn1)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB11 A5LHX3 7/20 0.41
▸ PSMA7 O14818 7/20 0.41
▸ PSMB1 P20618 7/20 0.41
▸ PSMA1 P25786 7/20 0.41
▸ PSMA2 P25787 7/20 0.41
▸ PSMA3 P25788 7/20 0.41
▸ PSMA4 P25789 7/20 0.41
▸ PSMB8 P28062 7/20 0.41
▸ PSMB9 P28065 7/20 0.41
▸ PSMA5 P28066 7/20 0.41
▸ PSMB4 P28070 7/20 0.41
▸ PSMB6 P28072 7/20 0.41
▸ PSMB5 P28074 7/20 0.41
▸ PSMB10 P40306 7/20 0.41
▸ PSMB3 P49720 7/20 0.41
▸ PSMB2 P49721 7/20 0.41
▸ PSMA6 P60900 7/20 0.41
▸ PSMA8 Q8TAA3 7/20 0.41
▸ PSMB7 Q99436 7/20 0.41
▸ LONP1 P36776 8/20 0.40

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
SCHEMBL28766234 1.00 PSMB11 (0.41) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL28602834 0.90 SLC7A5 (0.38) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL28611443 0.88 POLB (0.43) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL28614526 0.86 RAB9A (0.46) ALDH1A1POLB
SCHEMBL28766231 0.84 POLB (0.40) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL523434 0.79 PSMB5 (0.41) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL7423057 0.76 CYP1A2 (0.47) ALDH1A1CYP1A2
SCHEMBL7423062 0.76 CYP1A2 (0.47) ALDH1A1CYP1A2
SCHEMBL28613880 0.75 POLB (0.41) ALDH1A1POLBLMNACYP1A2CYP2C9
SCHEMBL27883394 0.70 TSHR (0.40) ALDH1A1POLBLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102659919-B A kind of synthetic method of Velcade HEFEI UNIVERSITY OF TECHNOLOGY (CN) 2016-03-30 — — CN claimed
CN-102659919-A Synthetic method of bortezomib UNIV HEFEI TECHNOLOGY 2012-09-12 — — CN claimed
CN-106008665-B Compound with tumor proliferation inhibition function and preparation method and application thereof 北京大学 2021-03-16 — — CN disclosed
CN-110372613-A A kind of 2,3,6- tri- replaces the high efficiency preparation method of pyrazine nitrogen oxygen class compound 江南大学 2019-10-25 — — CN disclosed
CN-102659919-B A kind of synthetic method of Velcade HEFEI UNIVERSITY OF TECHNOLOGY (CN) 2016-03-30 — — CN disclosed
CN-102659919-B A kind of synthetic method of Velcade HEFEI UNIVERSITY OF TECHNOLOGY (CN) 2016-03-30 — — CN disclosed
CN-102659919-A Synthetic method of bortezomib UNIV HEFEI TECHNOLOGY 2012-09-12 — — CN disclosed
CN-102659919-A Synthetic method of bortezomib UNIV HEFEI TECHNOLOGY 2012-09-12 — — CN disclosed
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