Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5025946

O=C(O)C(F)(F)F.O=C(O)c1ccc2ncsc2c1

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.82
RAB9A P51151 12/20 0.82
KDM4E B2RXH2 1/20 0.82
HKDC1 Q2TB90 1/20 0.82
TDP1 Q9NUW8 1/20 0.82
L3MBTL1 Q9Y468 1/20 0.82
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
POLB P06746 2/20 0.55
GFER P55789 1/20 0.50
NTRK1 P04629 2/20 0.47
NTRK2 Q16620 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAMPT P43490 1/20 0.46

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
SCHEMBL192332 0.91 NPC1 (1.00) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL10347638 0.89 NPC1 (0.96) NPC1RAB9AKDM4EHKDC1TDP1
Hydrochloric Acid SCHEMBL4255724 0.89 NPC1 (0.96) NPC1RAB9AKDM4EHKDC1TDP1
Trifluoroacetic Acid SCHEMBL3492401 0.85 NPC1 (0.59) NPC1RAB9AKDM4EHKDC1TDP1
Trifluoroacetic Acid SCHEMBL5028767 0.82 NPC1 (0.54) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL19901007 0.78 NPC1 (0.60) NPC1RAB9AKDM4EHKDC1TDP1
Benzo[D]Thiazole SCHEMBL27637923 0.78 ALDH1A1 (0.66) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL261022 0.77 NPC1 (0.74) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL30917341 0.77 NPC1 (0.74) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL1819290 0.76 NPC1 (0.72) NPC1RAB9AKDM4EHKDC1TDP1

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-1981883-A1 NOVEL HETEROARYL SUBSTITUTED BENZOTHIAZOLES AstraZeneca AB (SE) 2008-10-22 EP disclosed
WO-2007086800-A1 NOVEL HETEROARYL SUBSTITUTED BENZOTHIAZOLES ASTRAZENECA AB (SE) 2007-08-02 WO disclosed