Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1379813

COc1ccc(S(=O)(=O)Nc2cc3cccnc3c(N3CCNCC3)n2)cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 16/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ KDM4E B2RXH2 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
SCHEMBL3627476 0.93 MEN1 (0.53) HTR6MEN1MAPK1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL1380515 0.86 RAD52 (0.43) MEN1KMT2A
Trifluoroacetic Acid SCHEMBL1381621 0.85 SLC40A1 (0.52) HTR6MEN1KMT2AGAA
Trifluoroacetic Acid SCHEMBL1380631 0.80 HTR6 (0.45) HTR6MEN1KMT2A
SCHEMBL7045097 0.80 SLC40A1 (0.49) HTR6
SCHEMBL3623702 0.80 SLC40A1 (0.58) HTR6ALDH1A1
SCHEMBL1379328 0.79 TDP1 (0.50) HTR6MEN1KMT2AALDH1A1GAA
Trifluoroacetic Acid SCHEMBL6047104 0.79 SLC40A1 (0.47) HTR6
Trifluoroacetic Acid SCHEMBL1380171 0.79 L3MBTL1 (0.43) HTR6
SCHEMBL1379816 0.78 ALDH1A1 (0.37) HTR6MEN1MAPK1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4731114-B2 — — 2011-07-20 — — JP claimed
EP-1412325-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2004-04-28 — — EP claimed
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 — — WO claimed
US-7144883-B2 Bicyclic sulfonamide compounds BIOVITRUM AB (SE) 2006-12-05 — — US disclosed
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