Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17558459

C[C@]1(Cc2ccnc3ccccc23)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O.O=C(O)C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.60
AR P10275 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.35
NAMPT P43490 1/20 0.33
LMNA P02545 1/20 0.33
MMP13 P45452 2/20 0.33
HSD11B1 P28845 1/20 0.33
ADAMTS4 O75173 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP1 P03956 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
SYK P43405 1/20 0.33
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ITGAL P20701 1/20 0.32

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 SCHEMBL17558350 1.00 IGF1R (0.60) IGF1RARPTGDR2NAMPTLMNA
SCHEMBL6171503 0.95 IGF1R (0.65) IGF1RARPTGDR2NAMPTHSD11B1
SCHEMBL6175292 0.95 IGF1R (0.65) IGF1RARPTGDR2NAMPTHSD11B1
Trifluoroacetic Acid SCHEMBL17558379 0.85 IGF1R (0.42) IGF1RAR
SCHEMBL6250335 0.84 IGF1R (0.51) IGF1RARLMNAKMT2ACYP1A2
Trifluoroacetic Acid SCHEMBL17558458 0.84 IGF1R (0.52) IGF1RARPTGDR2NAMPTLMNA
SCHEMBL6174186 0.84 IGF1R (0.51) IGF1RARLMNAKMT2ACYP1A2
Trifluoroacetic Acid SCHEMBL17558384 0.83 IGF1R (0.51) IGF1RARPTGDR2NAMPTMMP13
SCHEMBL6173676 0.83 IGF1R (0.52) IGF1RARKMT2AITGAL
SCHEMBL6172368 0.83 IGF1R (0.52) IGF1RARKMT2ASMN1; SMN2ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3188729-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS Genzyme Corporation (US) 2017-07-12 EP disclosed
WO-2016036796-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS GENZYME CORPORATION (US) 2016-03-10 WO disclosed