Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL25325844

COc1cccc(C2=NC[C@@H](C)CC2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
HTT P42858 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PIN1 Q13526 1/20 0.42
HPGD P15428 4/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BACE1 P56817 2/20 0.41
ALDH1A1 P00352 6/20 0.40
TSHR P16473 3/20 0.40
MAPK10 P53779 2/20 0.40
PDE5A O76074 1/20 0.39
CYP2D6 P10635 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL30551630 0.88 MAOB (0.45) HPGDMAPK1KDM4EHSD17B10ALDH1A1
SCHEMBL25324335 0.88 MAOB (0.45) HPGDMAPK1KDM4EHSD17B10ALDH1A1
SCHEMBL31578447 0.88 MAOB (0.45) HPGDMAPK1KDM4EHSD17B10ALDH1A1
SCHEMBL25324339 0.88 MAOB (0.45) HPGDMAPK1KDM4EHSD17B10ALDH1A1
Trifluoroacetic Acid SCHEMBL25322512 0.85 CHRNB4 (0.44) PIN1KDM4ESMN1; SMN2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL25323426 0.84 SLC22A12 (0.39) CYP1A2CYP3A4CYP2C19CYP2C9
Trifluoroacetic Acid SCHEMBL25322362 0.79 EGFR (0.38) LMNAHTTHPGDMAPK1ALDH1A1
Trifluoroacetic Acid SCHEMBL25324225 0.77 NPC1 (0.39) LMNACYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL25321892 0.74 HTR1A (0.44) MEN1KMT2A
SCHEMBL25321886 0.74 HTR1A (0.44) MEN1KMT2A

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
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed