Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6775993

CN(C)C(=N)c1ccc(C(=O)NCCOc2ccc3ccnc(N)c3c2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.42
NPC1 O15118 6/20 0.41
RAB9A P51151 4/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LOX P28300 2/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
RAD52 P43351 1/20 0.39
UBE2N P61088 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
HPGD P15428 1/20 0.38

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 SCHEMBL6770182 0.92 NPC1 (0.42) F10NPC1RAB9APOLBALDH1A1
Trifluoroacetic Acid SCHEMBL6775232 0.89 RAD52 (0.42) F10NPC1RAB9APOLBALDH1A1
Trifluoroacetic Acid SCHEMBL6890249 0.86 F10 (0.49) F10NPC1RAB9APOLBCASP3
Trifluoroacetic Acid SCHEMBL6769455 0.86 F10 (0.45) F10NPC1
Trifluoroacetic Acid SCHEMBL6770318 0.84 TRPV1 (0.42) F10NPC1RAB9ASMN1; SMN2LOX
Trifluoroacetic Acid SCHEMBL6765882 0.82 F10 (0.56) F10NPC1ALDH1A1SMN1; SMN2KLKB1
Trifluoroacetic Acid SCHEMBL6771855 0.82 F10 (0.39) F10
Trifluoroacetic Acid SCHEMBL6775790 0.81 F10 (0.41) F10NPC1RAB9APOLBALDH1A1
Trifluoroacetic Acid SCHEMBL6770954 0.81 F10 (0.63) F10RAB9AL3MBTL1
Trifluoroacetic Acid SCHEMBL6771145 0.80 ROCK1 (0.48) F10

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
US-6825181-B1 ORALLY ADMINISTRATED TO EXHIBIT A STRONG ANTICOAGULANT EFFECT BY INHIBITING ACTIVATED BLOOD- COAGULATION FACTOR X AJINOMOTO CO., INC. (JP) 2004-11-30 US disclosed
EP-1065200-A1 AMINOISOQUINOLINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2001-01-03 EP disclosed