Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6978462

N=C1CCCCC(C(CN)c2c[nH]c3ccccc23)N1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
TPSAB1 Q15661 1/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MAPK1 P28482 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 2/20 0.35
MGAM O43451 2/20 0.35
GAA P10253 2/20 0.35
SI P14410 2/20 0.35
MGAM2 Q2M2H8 2/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL6978023 0.90 HTR2A (0.45) MEN1KMT2AHTR2AHTR2CHTR2B
Trifluoroacetic Acid SCHEMBL6979873 0.83 MEN1 (0.37) MEN1KMT2AALDH1A1L3MBTL1
Trifluoroacetic Acid SCHEMBL6981240 0.77 ALDH1A1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6977300 0.77 KMT2A (0.45) MEN1KMT2AHTR2AHTR2CHTR2B
Trifluoroacetic Acid SCHEMBL6977922 0.77 CYP1A2 (0.34) MAPT
Trifluoroacetic Acid SCHEMBL6982053 0.75 HTR5A (0.30)
SCHEMBL6969217 0.72 SLC6A2 (0.36) MEN1KMT2AHTR2APKM
Trifluoroacetic Acid SCHEMBL9082735 0.72 EPHX1 (0.33) ALDH1A1
Trifluoroacetic Acid SCHEMBL6979209 0.70 DPP4 (0.43) ALDH1A1TDP1
Trifluoroacetic Acid SCHEMBL6973149 0.65 DPP4 (0.36) MAPK1ALDH1A1MAPTTDP1

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-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed