SCHEMBL1160458

SCHEMBL1160458

O=[N+]([O-])c1cn2c(n1)OCC(OCc1ccc(Cc3ccc(OC(F)(F)F)cc3)cc1)C2

nearest known ligand 0.94

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.94
KCNH2 Q12809 4/20 0.49
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
CARM1 Q86X55 2/20 0.39
PRMT6 Q96LA8 2/20 0.39
SCN9A Q15858 7/20 0.35
ENPP2 Q13822 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
SCN4A P35499 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN3A Q9NY46 1/20 0.33
TXNRD1 Q16881 1/20 0.33
GAA P10253 1/20 0.33
GRM2 Q14416 1/20 0.32

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
SCHEMBL507542 1.00 CHRM1 (0.94) CHRM1KCNH2PTGS1SLC6A2SLC6A4
Pretomanid SCHEMBL14004006 0.97 CHRM1 (1.00) CHRM1KCNH2PTGS1SLC6A2SLC6A4
Pretomanid SCHEMBL2983011 0.97 CHRM1 (1.00) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL508066 0.94 CHRM1 (0.94) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL508124 0.92 CHRM1 (0.90) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL508123 0.92 CHRM1 (0.90) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL508335 0.92 CHRM1 (0.90) CHRM1KCNH2PTGS1SLC6A2SLC6A4
Pretomanid SCHEMBL28576553 0.89 CHRM1 (0.84) CHRM1KCNH2PTGS1SLC6A2SLC6A4
Pretomanid SCHEMBL28576555 0.88 CHRM1 (0.82) CHRM1KCNH2PTGS1SLC6A2SLC6A4
Tba-354 SCHEMBL508426 0.87 CHRM1 (0.81) CHRM1KCNH2PTGS1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459571-B1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2015-03-11 EP claimed
EP-2459571-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY Global Alliance For Tb Drug Development (US) 2012-06-06 EP claimed
WO-2011014774-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 WO claimed