Taurine

Taurine

SCHEMBL4593145

NC1CCN(c2ccncc2)CC1.NCCS(=O)(=O)O

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.41
LSS P48449 2/20 0.40
CHKA P35790 1/20 0.40
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
SLC6A6 P31641 1/20 0.38
BLM P54132 1/20 0.38
ADRB2 P07550 1/20 0.37
NCF1 P14598 1/20 0.37

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
SCHEMBL223203 0.81 CHKA (0.59) LSSCHKADPP4DPP8DPP9
Hydrochloric Acid SCHEMBL784685 0.79 CHKA (0.57) LSSCHKADPP4DPP8DPP9
Hydrochloric Acid SCHEMBL1060872 0.79 CHKA (0.57) LSSCHKADPP4DPP8DPP9
Hydrochloric Acid SCHEMBL7328290 0.77 CHKA (0.55) LSSCHKADPP4DPP8DPP9
SCHEMBL219902 0.76 KDM1A (0.42) F10LSSCHKADPP4DPP8
Trifluoroacetic Acid SCHEMBL1456945 0.73 DPP4 (0.59) LSSCHKADPP4DPP8DPP9
SCHEMBL14275562 0.71 CHKA (0.50) CHKADPP4DPP8DPP9DPP7
Isophthalic Acid SCHEMBL27902625 0.70 KMO (0.49) F10LSSDPP4DPP8DPP9
SCHEMBL785766 0.70 CHKA (0.50) F10LSSCHKADPP4DPP8
SCHEMBL785122 0.70 CHKA (0.53) F10CHKADPP4DPP8DPP9

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-1888567-A1 HETEROARYL-CARBOXYLIC ACID (SULFAMOYL ALKYL) AMIDE - DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis (FR) 2008-02-20 EP disclosed
WO-2006122661-A1 HETEROARYL-CARBOXYLIC ACID (SULFAMOYL ALKYL) AMIDE - DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS (DE) 2006-11-23 WO disclosed