Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30007121

CCOC(=O)c1sc(Nc2nc(N3CCN(C)CC3)cc(N3CCc4cc(O)c(O)cc4C3)n2)nc1C.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.57
MAPT P10636 5/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.43
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
DHODH Q02127 5/20 0.40
NPSR1 Q6W5P4 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
Trifluoroacetic Acid SCHEMBL29832732 1.00 PDE5A (0.57) PDE5AMAPTKDM4EALDH1A1LMNA
SCHEMBL6068359 0.94 PDE5A (0.64) PDE5AMAPTKDM4EALDH1A1LMNA
SCHEMBL6068421 0.87 PDE5A (0.65) PDE5AMAPTKDM4EALDH1A1LMNA
SCHEMBL29832159 0.87 PDE5A (0.65) PDE5AMAPTKDM4EALDH1A1LMNA
SCHEMBL299899 0.85 PDE5A (0.47) PDE5AMAPTKDM4EALDH1A1LMNA
SCHEMBL290735 0.84 PDE5A (0.78) PDE5AMAPTKDM4EALDH1A1LMNA
SCHEMBL29832127 0.83 PDE5A (0.70) PDE5AMAPTKDM4EALDH1A1LMNA
SCHEMBL291604 0.83 PDE5A (0.70) PDE5AMAPTKDM4EALDH1A1LMNA
SCHEMBL290739 0.80 PDE5A (0.70) PDE5AMAPTKDM4EALDH1A1LMNA
SCHEMBL29831813 0.80 PDE5A (0.70) PDE5AMAPTKDM4EALDH1A1LMNA

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
CN-115192711-A Use of PDE7 inhibitors for the treatment of movement disorders 奥默罗斯公司 2022-10-18 CN disclosed