Tetracycline

Tetracycline

SCHEMBL12356690

CN(C)[C@H]1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Tetracycline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.70
▸ KMT2A Q03164 8/20 0.70
▸ TDP1 Q9NUW8 7/20 0.70
▸ KDM4E B2RXH2 5/20 0.70
▸ MAPT P10636 5/20 0.70
▸ USP2 O75604 3/20 0.70
▸ LMNA P02545 3/20 0.70
▸ POLB P06746 3/20 0.70
▸ ALDH1A1 P00352 3/20 0.70
▸ RECQL P46063 2/20 0.70
▸ CYP3A4 P08684 1/20 0.70
▸ THRB P10828 4/20 0.69
▸ L3MBTL1 Q9Y468 1/20 0.69
▸ HSD17B10 Q99714 5/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ ALOX15 P16050 1/20 0.67
▸ BRCA1 P38398 1/20 0.67
▸ AKR1C3 P42330 1/20 0.58
▸ GAA P10253 2/20 0.54
▸ HIF1A Q16665 2/20 0.54

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
Tetracycline SCHEMBL4932253 1.00 MEN1 (0.70) MEN1KMT2ATDP1KDM4EMAPT
Tetracycline SCHEMBL12856676 1.00 MEN1 (0.70) MEN1KMT2ATDP1KDM4EMAPT
Epitetracycline SCHEMBL19771301 1.00 MEN1 (0.70) MEN1KMT2ATDP1KDM4EMAPT
Tetracycline SCHEMBL2614976 1.00 MEN1 (0.70) MEN1KMT2ATDP1KDM4EMAPT
Tetracycline SCHEMBL16302914 1.00 MEN1 (0.70) MEN1KMT2ATDP1KDM4EMAPT
Tetracycline SCHEMBL13223984 1.00 MEN1 (0.70) MEN1KMT2ATDP1KDM4EMAPT
Tetracycline SCHEMBL6666071 1.00 MEN1 (0.70) MEN1KMT2ATDP1KDM4EMAPT
Tetracycline SCHEMBL4932271 1.00 MEN1 (0.70) MEN1KMT2ATDP1KDM4EMAPT
Tetracycline SCHEMBL21900130 1.00 MEN1 (0.70) MEN1KMT2ATDP1KDM4EMAPT
Tetracycline SCHEMBL12247641 1.00 MEN1 (0.70) MEN1KMT2ATDP1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8007996-B2 Methods to identify protein arginine deiminase 4 inhibitors UNIVERSITY OF SOUTH CAROLINA (US) 2011-08-30 — — US disclosed
US-8007996-B2 Methods to identify protein arginine deiminase 4 inhibitors UNIVERSITY OF SOUTH CAROLINA (US) 2011-08-30 — — US disclosed
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