Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2483587

COc1ccc2nc(NC(=O)c3ccc([S+](c4ccccc4)c4ccccc4)cc3)sc2c1.O=C([O-])C(F)(F)F

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCD O00767 18/20 0.70
KMT2A Q03164 4/20 0.66
NPC1 O15118 4/20 0.66
RAB9A P51151 4/20 0.66
MEN1 O00255 3/20 0.66

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
SCHEMBL2484653 0.92 SCD (0.81) SCDKMT2ANPC1RAB9AMEN1
Trifluoromethanesulfonic Acid SCHEMBL403207 0.91 SCD (0.67) SCDKMT2ANPC1RAB9AMEN1
Trifluoroacetic Acid SCHEMBL2482555 0.88 MAP3K5 (0.61) SCDKMT2ANPC1RAB9AMEN1
Trifluoroacetic Acid SCHEMBL2479571 0.87 SMN1; SMN2 (0.61) SCDKMT2ANPC1RAB9AMEN1
SCHEMBL2482852 0.85 SCD (0.66) SCDKMT2ANPC1RAB9AMEN1
SCHEMBL4912951 0.83 SCD (1.00) SCDKMT2ANPC1RAB9AMEN1
SCHEMBL16554160 0.81 SCD (1.00) SCDKMT2ANPC1RAB9AMEN1
SCHEMBL4917823 0.81 SCD (0.87) SCDKMT2ANPC1RAB9AMEN1
SCHEMBL31243 0.81 SCD (1.00) SCDKMT2ANPC1RAB9AMEN1
SCHEMBL16554145 0.80 SCD (0.88) SCDKMT2ANPC1RAB9AMEN1

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-2376463-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA Bayer Pharma Aktiengesellschaft (DE) 2011-10-19 EP disclosed
WO-2010066357-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 WO disclosed