Minocycline

Minocycline

SCHEMBL11688992

CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O.Cl.Cl.[CaH2]

nearest known ligand 0.70

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Known targets — ChEMBL curated mechanism

rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Minocycline. 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 8/20 0.70
KDM4E B2RXH2 6/20 0.70
MAPT P10636 6/20 0.70
USP2 O75604 5/20 0.70
HPGD P15428 2/20 0.70
CYP3A4 P08684 1/20 0.70
RECQL P46063 1/20 0.70
HIF1A Q16665 3/20 0.68
PTGS1 P23219 2/20 0.68
GRK6 P43250 1/20 0.68
ABCB11 O95342 1/20 0.68
ALB P02768 1/20 0.68
KMT2A Q03164 7/20 0.61
LMNA P02545 3/20 0.61
BLM P54132 1/20 0.61
HSD17B10 Q99714 4/20 0.59
THPO P40225 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 1/20 0.47
NR1I2 O75469 2/20 0.47

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
Minocycline SCHEMBL2537 0.99 TDP1 (0.71) TDP1KDM4EMAPTUSP2HPGD
Minocycline SCHEMBL1446032 0.99 TDP1 (0.71) TDP1KDM4EMAPTUSP2HPGD
Minocycline SCHEMBL5552036 0.99 TDP1 (0.69) TDP1KDM4EMAPTUSP2HPGD
Minocycline SCHEMBL19063414 0.99 TDP1 (0.71) TDP1KDM4EMAPTUSP2HPGD
Minocycline SCHEMBL4810001 0.99 TDP1 (0.71) TDP1KDM4EMAPTUSP2HPGD
Minocycline SCHEMBL2120833 0.99 TDP1 (0.71) TDP1KDM4EMAPTUSP2HPGD
Minocycline SCHEMBL6550323 0.99 TDP1 (0.71) TDP1KDM4EMAPTUSP2HPGD
Minocycline SCHEMBL2865953 0.99 TDP1 (0.71) TDP1KDM4EMAPTUSP2HPGD
Minocycline SCHEMBL2539 0.99 TDP1 (0.71) TDP1KDM4EMAPTUSP2HPGD
Minocycline SCHEMBL29946502 0.99 TDP1 (0.71) TDP1KDM4EMAPTUSP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4038315-A ISOLATION AND RECOVERY OF CALCIUM CHLORIDE COMPLEX OF 7-DIMETHYLAMINO-6-DIMETHYL L-6-DEOXYTETRACYCLINE HYDROCHLORIDE AMERICAN CYANAMID COMPANY (US) 1977-07-26 US disclosed