SCHEMBL1768366

SCHEMBL1768366

CC[n+]1cc[nH]c1.CS(=O)(=O)[O-]

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.39

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
Sulfuric Acid SCHEMBL6005791 0.92 FDPS (0.39) FDPS
Sulfuric Acid SCHEMBL6003622 0.90 FDPS (0.41) FDPS
SCHEMBL380245 0.87
SCHEMBL11197031 0.86 FDPS (0.36) FDPS
Trifluoromethanesulfonic Acid SCHEMBL4310741 0.85 FDPS (0.38) FDPS
Iodide SCHEMBL1842396 0.84
Bromide SCHEMBL6006268 0.84
Hydrochloric Acid SCHEMBL3900876 0.84
SCHEMBL15865372 0.83 FDPS (0.34) FDPS
Formic Acid SCHEMBL25181119 0.83 FDPS (0.39) FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501680-A1 A PROCESS FOR A PREPARATION OF MARBOFLOXACIN AND INTERMEDIATE THEREOF KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO et al (SI) 2012-09-26 EP disclosed
WO-2011061292-A1 A PROCESS FOR A PREPARATION OF MARBOFLOXACIN AND INTERMEDIATE THEREOF KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2011-05-26 WO disclosed