Methacycline

Methacycline

SCHEMBL5445227

C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12.C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12.Cl.Cl

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Methacycline. 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
TDP1 Q9NUW8 11/20 0.70
KDM4E B2RXH2 9/20 0.70
RECQL P46063 7/20 0.70
HPGD P15428 7/20 0.70
L3MBTL1 Q9Y468 7/20 0.70
MEN1 O00255 6/20 0.70
KMT2A Q03164 6/20 0.70
HSD17B10 Q99714 6/20 0.70
THRB P10828 5/20 0.70
MAPT P10636 5/20 0.70
POLB P06746 3/20 0.70
NR1I2 O75469 2/20 0.70
RAD52 P43351 1/20 0.70
USP2 O75604 7/20 0.69
SIRT5 Q9NXA8 2/20 0.69
LMNA P02545 2/20 0.69
MC4R P32245 1/20 0.69
ALDH1A1 P00352 4/20 0.50
ALOX15 P16050 2/20 0.50
HIF1A Q16665 3/20 0.49

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
Methacycline SCHEMBL127703 1.00 TDP1 (0.70) TDP1KDM4ERECQLHPGDL3MBTL1
Methacycline SCHEMBL127702 1.00 TDP1 (0.70) TDP1KDM4ERECQLHPGDL3MBTL1
Methacycline SCHEMBL30582540 1.00 TDP1 (0.70) TDP1KDM4ERECQLHPGDL3MBTL1
Methacycline SCHEMBL2614978 0.99 TDP1 (0.70) TDP1KDM4ERECQLHPGDL3MBTL1
Methacycline SCHEMBL29376851 0.99 TDP1 (0.70) TDP1KDM4ERECQLHPGDL3MBTL1
Methacycline SCHEMBL17430778 0.99 TDP1 (0.70) TDP1KDM4ERECQLHPGDL3MBTL1
Methacycline SCHEMBL5523818 0.99 TDP1 (0.70) TDP1KDM4ERECQLHPGDL3MBTL1
Methacycline SCHEMBL19771282 0.99 TDP1 (0.70) TDP1KDM4ERECQLHPGDL3MBTL1
Methacycline SCHEMBL21133469 0.99 TDP1 (0.70) TDP1KDM4ERECQLHPGDL3MBTL1
Methacycline SCHEMBL13328119 0.99 TDP1 (0.70) TDP1KDM4ERECQLHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10095524-B2 Method and apparatus for dynamically replacing legacy instructions with a single executable instruction utilizing a wide datapath INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-10-09 US disclosed
US-20150082009-A1 METHOD AND APPARATUS FOR THE DYNAMIC CREATION OF INSTRUCTIONS UTILIZING A WIDE DATAPATH INTERNATIONAL BUSINESS MACHINES CORPORATION 2015-03-19 US disclosed
US-8904151-B2 Method and apparatus for the dynamic identification and merging of instructions for execution on a wide datapath INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-12-02 US disclosed
US-20070260855-A1 Method and apparatus for the dynamic creation of instructions utilizing a wide datapath INTERNATIONAL BUSINESS MACHINES CORPORATION 2007-11-08 US disclosed