Sugi Predict

Sugi Predict / Compounds / SCHEMBL4894982

SCHEMBL4894982

SCHEMBL4894982

NCCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDF Q9HBH1 1/20 0.62
▸ SSTR3 P32745 1/20 0.59
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ MITF O75030 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ HDAC4 P56524 5/20 0.52
▸ MEF2D Q14814 2/20 0.52
▸ PLG P00747 1/20 0.52
▸ CTSB P07858 1/20 0.49
▸ HDAC1 Q13547 4/20 0.48
▸ HDAC3 O15379 3/20 0.48
▸ HDAC7 Q8WUI4 3/20 0.48
▸ HDAC2 Q92769 3/20 0.48
▸ HDAC10 Q969S8 3/20 0.48
▸ HDAC11 Q96DB2 3/20 0.48
▸ HDAC8 Q9BY41 3/20 0.48
▸ HDAC6 Q9UBN7 3/20 0.48

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
SCHEMBL10440716 1.00 PDF (0.62) PDFSSTR3NPC1RAB9AMEN1
SCHEMBL8681772 0.87 SSTR3 (0.57) PDFSSTR3NPC1RAB9AMEN1
SCHEMBL5580975 0.86 PDF (0.59) PDFSSTR3NPC1RAB9AMEN1
SCHEMBL20471420 0.85 C3AR1 (0.53) PDFNPC1RAB9AMEN1MITF
SCHEMBL591280 0.85 NPC1 (0.51) PDFSSTR3NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL29365278 0.85 C3AR1 (0.53) PDFNPC1RAB9AMEN1MITF
Hydrochloric Acid SCHEMBL29727707 0.85 C3AR1 (0.53) PDFNPC1RAB9AMEN1MITF
SCHEMBL2936175 0.85 NPC1 (0.51) PDFSSTR3NPC1RAB9AMEN1
SCHEMBL701212 0.85 NPC1 (0.51) PDFSSTR3NPC1RAB9AMEN1
SCHEMBL20303610 0.84 PDF (0.69) PDFSSTR3NPC1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116334050-B Artificially designed lysyl endonuclease, coding sequence and fermentation method 珠海联邦制药股份有限公司 2024-02-02 — — CN disclosed
CN-115717137-B Lysyl specific endonuclease mutant and preparation method and application thereof 北京惠之衡生物科技有限公司 2024-01-26 — — CN disclosed
CN-116334049-B Artificially designed lysyl endonuclease, coding sequence and fermentation method 珠海联邦制药股份有限公司 2023-11-17 — — CN disclosed
WO-2023198519-A1 CROCUS SATIVUS FLOWER EXTRACTS, COMPOSITIONS COMPRISING SAME, AND USES THEREOF IN ORAL CARE ISP INVESTMENTS LLC (US) 2023-10-19 — — WO disclosed
CN-116334049-A Artificially designed lysyl endonuclease, coding sequence and fermentation method 珠海联邦制药股份有限公司 2023-06-27 — — CN disclosed
CN-116334050-A Artificially designed lysyl endonuclease, coding sequence and fermentation method 珠海联邦制药股份有限公司 2023-06-27 — — CN disclosed
CN-112824527-B Artificially designed lysyl endonuclease, coding sequence and fermentation method 珠海联邦制药股份有限公司 2023-05-26 — — CN disclosed
CN-115717137-A Lysyl-specific endonuclease mutant and preparation method and application thereof 北京惠之衡生物科技有限公司 2023-02-28 — — CN disclosed
US-8580534-B2 Method for incorporation of two oxygen atoms into digested peptides using peptidases THE UNIVERSITY OF NORTH DAKOTA (US) 2013-11-12 — — US disclosed
US-20080032322-A1 Method for incorporation of two oxygen atoms into digested peptides using peptidases UNIVERSITY OF NORTH DAKOTA (US) 2008-02-07 — — US disclosed
EP-0367302-A2 Process for semi-synthesis of human insulin, water-soluble cross-linked Achromobacter protease I for use therein and a process for preparing the same WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1990-05-09 — — EP disclosed
US-4634671-A SEMI-SYNTHESIS OF HUMAN INSULIN WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1987-01-06 — — US disclosed
EP-0092829-A2 Process for semi-synthesis of human insulin and alkaline protease for use therein WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1983-11-02 — — EP disclosed