Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL27775256

N=C(N)Nc1ccnc(Cl)c1.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 9/20 0.56
SMARCA4 P51532 8/20 0.56
GRM5 P41594 3/20 0.44
HDAC4 P56524 1/20 0.44
AR P10275 1/20 0.41
KLK1 P06870 1/20 0.39
KLK5 Q9Y337 1/20 0.39
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.36
CNR1 P21554 1/20 0.36

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 SCHEMBL2332222 1.00 SMARCA2 (0.56) SMARCA2SMARCA4GRM5HDAC4AR
Trifluoroacetic Acid SCHEMBL15620942 0.83 SORT1 (0.51) SMARCA2SMARCA4GRM5HDAC4
SCHEMBL9278345 0.77 SMARCA2 (0.65) SMARCA2SMARCA4GRM5HDAC4AR
SCHEMBL1400789 0.75 SMARCA2 (0.68) SMARCA2SMARCA4GRM5HDAC4AR
Phenylguanidine SCHEMBL7425328 0.74 CHIT1 (0.49) HDAC4KLK1KLK5ALDH1A1RAB9A
SCHEMBL9599834 0.73 SMARCA2 (0.86) SMARCA2SMARCA4ALDH1A1RAB9AMAPT
SCHEMBL22125245 0.71 SMARCA2 (1.00) SMARCA2SMARCA4HDAC4
SCHEMBL5145795 0.71 SMARCA2 (0.65) SMARCA2SMARCA4ARJAK2TYK2
SCHEMBL31434913 0.71 SMARCA2 (0.66) SMARCA2SMARCA4GRM5JAK2TYK2
SCHEMBL26922946 0.71 SMARCA2 (0.57) SMARCA2SMARCA4GRM5HDAC4AR

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
CN-102239160-A Substituted (pyridyl) -azinylamine derivatives as fungicides BAYER CROPSCIENCE SA 2011-11-09 CN disclosed
CN-101679376-A fungicide heterocyclyl-pyrimidinyl-amino derivatives BAYER CROPSCIENCE SA 2010-03-24 CN disclosed