Meclocycline

Meclocycline

SCHEMBL5849023

C=C1c2c(Cl)ccc(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.O=C(O)c1cc(S(=O)(=O)O)ccc1O

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Meclocycline. 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 14/20 0.77
KDM4E B2RXH2 11/20 0.77
MEN1 O00255 9/20 0.77
KMT2A Q03164 9/20 0.77
USP2 O75604 8/20 0.77
HSD17B10 Q99714 8/20 0.77
RECQL P46063 7/20 0.77
ALDH1A1 P00352 7/20 0.77
HPGD P15428 7/20 0.77
THRB P10828 6/20 0.77
MAPT P10636 6/20 0.77
LMNA P02545 4/20 0.77
L3MBTL1 Q9Y468 3/20 0.77
CASP7 P55210 2/20 0.77
CASP1 P29466 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
NR1I2 O75469 3/20 0.45
MC4R P32245 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
POLB P06746 4/20 0.44

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
Meclocycline SCHEMBL193563 1.00 TDP1 (0.77) TDP1KDM4EMEN1KMT2AUSP2
Meclocycline SCHEMBL29365199 1.00 TDP1 (0.77) TDP1KDM4EMEN1KMT2AUSP2
Meclocycline SCHEMBL28357495 0.89 TDP1 (0.61) TDP1KDM4EMEN1KMT2AUSP2
Meclocycline SCHEMBL24321867 0.89 TDP1 (0.59) TDP1KDM4EMEN1KMT2AUSP2
Meclocycline SCHEMBL21133274 0.89 TDP1 (0.59) TDP1KDM4EMEN1KMT2AUSP2
Meclocycline SCHEMBL21133273 0.89 TDP1 (0.59) TDP1KDM4EMEN1KMT2AUSP2
Meclocycline SCHEMBL3445 0.89 TDP1 (0.59) TDP1KDM4EMEN1KMT2AUSP2
Meclocycline SCHEMBL29427550 0.89 TDP1 (0.59) TDP1KDM4EMEN1KMT2AUSP2
Meclocycline SCHEMBL195707 0.89 TDP1 (0.59) TDP1KDM4EMEN1KMT2AUSP2
Meclocycline SCHEMBL4207351 0.88 TDP1 (0.58) TDP1KDM4EMEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1307971-C Antimycotic nail varnish composition POLICHEM SA (LU) 2007-04-04 CN disclosed
US-7033578-B2 Antimycotic nail varnish composition POLICHEM S.A. (LU) 2006-04-25 US disclosed
CN-1679472-A Antimycotic nail varnish composition POLICHEM SA (LU) 2005-10-12 CN disclosed
CN-1200673-C Antifungal nail polish composition POLICHEM SA (LU) 2005-05-11 CN disclosed
EP-1303249-B1 ANTIMYCOTIC NAIL VARNISH COMPOSITION POLICHEM SA (LU) 2004-03-10 EP disclosed
US-20040022831-A1 Antimicotic nail varnish composition POLICHEM S.A. (LU) 2004-02-05 US disclosed
CN-1449273-A Antifungal nail polish composition POLICHEM SA (LU) 2003-10-15 CN disclosed
EP-1303249-A1 ANTIMYCOTIC NAIL VARNISH COMPOSITION Polichem S.A. (LU) 2003-04-23 EP disclosed
WO-2002007683-A1 ANTIMICOTIC NAIL VARNISH COMPOSITION POLICHEM S.A. (LU) 2002-01-31 WO disclosed