SCHEMBL2512165

SCHEMBL2512165

Cc1ncc(C[n+]2c(C(C)O)sc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPP5C P53041 1/20 0.68
▸ LMNA P02545 1/20 0.65
▸ TKT P29401 6/20 0.57
▸ TDP1 Q9NUW8 1/20 0.54
▸ HSP90AA1 P07900 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35

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
Hydrochloric Acid SCHEMBL1533810 0.99 PPP5C (0.67) PPP5CLMNATKTTDP1HSP90AA1
SCHEMBL31477791 0.91 PPP5C (0.70) PPP5CLMNATKTTDP1HSP90AA1
SCHEMBL4364375 0.88 PPP5C (0.82) PPP5CLMNATKTTDP1HSP90AA1
Hydrochloric Acid SCHEMBL3908684 0.88 PPP5C (0.64) PPP5CLMNATKTTDP1HSP90AA1
Hydrochloric Acid SCHEMBL788235 0.86 LMNA (0.67) PPP5CLMNATKTTDP1HSP90AA1
SCHEMBL30249786 0.85 LMNA (0.66) PPP5CLMNATKTTDP1HSP90AA1
Hydrochloric Acid SCHEMBL459651 0.85 LMNA (0.66) PPP5CLMNATKTTDP1HSP90AA1
Hydrochloric Acid SCHEMBL15320267 0.84 LMNA (0.65) PPP5CLMNATKTTDP1HSP90AA1
Hydrochloric Acid SCHEMBL5709836 0.83 TDP1 (0.60) PPP5CLMNATKTTDP1HSP90AA1
SCHEMBL13741845 0.81 TKT (0.71) PPP5CTKTTDP1HSP90AA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240245802-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING BRAIN TUMORS COMPRISING EXTRACELLULAR VESICLES LOADED WITH MITOCHONDRIA-TARGETING PHOTOSENSITIZER AS AN ACTIVE INGREDIENT ExoTheranostics, Inc. (KR) 2024-07-25 — — US disclosed
US-20170116369-A1 METHOD FOR DESIGNING OVERALL STOICHIOMETRIC CONVERSIONS AND INTERVENING METABOLIC REACTIONS UNITED STATES DEPARTMENT OF ENERGY 2017-04-27 — — US disclosed
US-20140309186-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION 2014-10-16 — — US disclosed
US-20110246081-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION (US) 2011-10-06 — — US disclosed
US-20090186358-A1 Pathway Analysis of Cell Culture Phenotypes and Uses Thereof WYETH (US) 2009-07-23 — — US disclosed
WO-2009052186-A1 METABOLOMICS-BASED IDENTIFICATION OF DISEASE-CAUSING AGENTS GEORGIA TECH RESEARCH CORPORATION (US) 2009-04-23 — — WO disclosed
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