Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3652089

NC(CCc1ccccc1)C(=O)NS(=O)(=O)c1cccc(-c2ccc(CC=NNc3nc4ccccc4s3)o2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.52
AGTR2 P50052 1/20 0.37
LARS1 Q9P2J5 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 2/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL3007062 0.86 BCL2L1 (0.70) BCL2L1AGTR2LARS1SMN1; SMN2GAA
Trifluoroacetic Acid SCHEMBL3007067 0.86 BCL2L1 (0.70) BCL2L1AGTR2LARS1SMN1; SMN2GAA
SCHEMBL3652091 0.86 BCL2L1 (0.44) BCL2L1AGTR2SMN1; SMN2GAANPC1
SCHEMBL13209139 0.82 BCL2L1 (0.75) BCL2L1LARS1SMN1; SMN2GAANPC1
SCHEMBL3654008 0.78 BCL2L1 (0.47) BCL2L1SMN1; SMN2GAANPC1MAPT
SCHEMBL3654798 0.78 BCL2L1 (0.46) BCL2L1SMN1; SMN2GAANPC1MAPT
SCHEMBL3007074 0.73 BCL2L1 (0.60) BCL2L1AGTR2SMN1; SMN2GAANPC1
SCHEMBL3007327 0.72 BCL2L1 (0.68) BCL2L1SMN1; SMN2GAAMAPTRAB9A
SCHEMBL3007321 0.72 BCL2L1 (0.68) BCL2L1SMN1; SMN2GAAMAPTRAB9A
SCHEMBL13209138 0.72 LARS1 (0.53) BCL2L1LARS1

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-2193127-A1 BENZOTHIAZOLE COMPOUNDS The Walter and Eliza Hall Institute of Medical Research (AU) 2010-06-09 EP disclosed
WO-2009039553-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2009-04-02 WO disclosed