Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7681909

COc1ccccc1CNC(=O)c1ccc2cccnc2n1.O=C(O)C(F)(F)F

nearest known ligand 0.62

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
POLB P06746 2/20 0.53
HPGD P15428 5/20 0.52
ALDH1A1 P00352 5/20 0.52
LMNA P02545 3/20 0.48
KDM4E B2RXH2 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
APEX1 P27695 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
HDAC1 Q13547 1/20 0.45
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL7016470 0.93 MEN1 (0.71) MEN1KMT2APOLBHPGDALDH1A1
Trifluoroacetic Acid SCHEMBL7019324 0.90 MEN1 (0.49) MEN1KMT2APOLBHPGDALDH1A1
SCHEMBL7014525 0.85 MEN1 (0.52) MEN1KMT2APOLBLMNAKDM4E
SCHEMBL7020859 0.83 MEN1 (0.57) MEN1KMT2APOLBHPGDALDH1A1
SCHEMBL7015349 0.81 MEN1 (0.55) MEN1KMT2APOLBHPGDALDH1A1
Trifluoroacetic Acid SCHEMBL7010257 0.81 GRIN2B (0.49) MEN1KMT2ALMNAKDM4ETDP1
SCHEMBL7014023 0.81 ALDH1A1 (0.59) MEN1KMT2APOLBHPGDALDH1A1
SCHEMBL7018462 0.80 KMT2A (0.52) MEN1KMT2APOLBHPGDALDH1A1
SCHEMBL7840550 0.80 MEN1 (0.52) MEN1KMT2APOLBHPGDALDH1A1
SCHEMBL7010073 0.79 MEN1 (0.52) MEN1KMT2APOLBHPGDALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340690-B1 INHIBITING HEPATITIS OR HERPES VIRAL INFECTIONS BIO-CHEM PHARMA INC. (CA) 2002-01-22 US disclosed