Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5250686

O=C(NCC(F)(F)F)c1ccc(-n2nnc(C(=O)NCc3cccnc3)c2COCc2ccccc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
HTT P42858 3/20 0.46
MAPK1 P28482 2/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
PTGER1 P34995 1/20 0.44
NAMPT P43490 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.42
ABCB1 P08183 1/20 0.42
KMT2A Q03164 1/20 0.42
DHODH Q02127 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
IDH1 O75874 1/20 0.41
MMP13 P45452 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41

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 SCHEMBL5249602 0.92 LMNA (0.43) LMNAHTTMAPK1SMN1; SMN2PTGER1
SCHEMBL5250048 0.91 EPHX2 (0.46) LMNASMN1; SMN2KMT2AHPGD
Trifluoroacetic Acid SCHEMBL5246743 0.88 MAPK14 (0.44) LMNASMN1; SMN2PTGER1ALDH1A1KMT2A
SCHEMBL5244539 0.87 SMO (0.44) LMNASMN1; SMN2MAPTKMT2AHPGD
SCHEMBL5244893 0.87 MAPK14 (0.48) NAMPTRECQLIDH1
SCHEMBL5247431 0.86 RIPK1 (0.44) LMNASMN1; SMN2NAMPTKMT2AHPGD
SCHEMBL5245587 0.85 RAB9A (0.49) LMNAKMT2A
SCHEMBL5245586 0.85 CCR1 (0.46) LMNANAMPTMAPTKMT2AMMP13
SCHEMBL5249371 0.85 CCR1 (0.49) LMNAALDH1A1RECQLKMT2AHPGD
SCHEMBL5244146 0.85 CCR1 (0.42) LMNASMN1; SMN2PTGER1KMT2AHPGD

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
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP disclosed