Rifampin

Rifampin

SCHEMBL14405975

CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\C(C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)C(OC(C)=O)[C@@H]1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

rpoArpoBrpoCrpoZ

The experimentally established mechanism targets of Rifampin. 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
MAPT P10636 3/20 1.00
NR1I2 O75469 3/20 1.00
ABCB11 O95342 3/20 1.00
ALDH1A1 P00352 2/20 1.00
KDM4E B2RXH2 2/20 1.00
MEN1 O00255 2/20 1.00
GAA P10253 2/20 1.00
MAPK1 P28482 2/20 1.00
KMT2A Q03164 2/20 1.00
TDP1 Q9NUW8 2/20 1.00
ABCC3 O15438 2/20 1.00
ABCC4 O15439 2/20 1.00
ABCC2 Q92887 2/20 1.00
SLCO2B1 O94956 2/20 1.00
CHRM1 P11229 2/20 1.00
TBXA2R P21731 2/20 1.00
ADRA1A P35348 2/20 1.00
SLCO1A2 P46721 2/20 1.00
SLCO1B3 Q9NPD5 2/20 1.00
SLCO1B1 Q9Y6L6 2/20 1.00

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
Rifampin SCHEMBL14922822 1.00 MAPT (1.00) MAPTNR1I2ABCB11ALDH1A1KDM4E
Rifampin SCHEMBL14029509 1.00 MAPT (1.00) MAPTNR1I2ABCB11ALDH1A1KDM4E
Rifampin SCHEMBL13230041 1.00 MAPT (1.00) MAPTNR1I2ABCB11ALDH1A1KDM4E
Rifampin SCHEMBL14927261 1.00 MAPT (1.00) MAPTNR1I2ABCB11ALDH1A1KDM4E
Rifampin SCHEMBL1176203 1.00 MAPT (1.00) MAPTNR1I2ABCB11ALDH1A1KDM4E
Rifampin SCHEMBL19457678 1.00 MAPT (1.00) MAPTNR1I2ABCB11ALDH1A1KDM4E
Rifampin SCHEMBL23490 1.00 MAPT (1.00) MAPTNR1I2ABCB11ALDH1A1KDM4E
Rifampin SCHEMBL22517710 1.00 MAPT (1.00) MAPTNR1I2ABCB11ALDH1A1KDM4E
Rifampin SCHEMBL22432205 1.00 MAPT (1.00) MAPTNR1I2ABCB11ALDH1A1KDM4E
Rifampin SCHEMBL66289 1.00 MAPT (1.00) MAPTNR1I2ABCB11ALDH1A1KDM4E

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
WO-2012175702-A1 RIMFAMPICIN ANALOGUE USEFUL FOR INFECTION IMAGING GE HEALTHCARE LIMITED (GB) 2012-12-27 WO disclosed