Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8517401

CC(C)CC(N)Cn1c(=O)c(-c2cn(CC3CCCO3)c3ccccc23)nc2cc(Cl)c(Cl)cc21.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 5/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 5/20 0.41
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
CASP1 P29466 4/20 0.41
CASP7 P55210 3/20 0.41
MAPK1 P28482 3/20 0.41
HIF1A Q16665 1/20 0.40
CYP2C9 P11712 2/20 0.40
LMNA P02545 1/20 0.40
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
POLB P06746 1/20 0.37
HSD17B10 Q99714 3/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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 SCHEMBL8516678 0.88 ALDH1A1 (0.42) USP2MEN1KMT2AALDH1A1CYP1A2
Trifluoroacetic Acid SCHEMBL8516989 0.86 MEN1 (0.46) USP2MEN1KMT2AALDH1A1CYP1A2
Trifluoroacetic Acid SCHEMBL8517292 0.85 KMT2A (0.43) USP2MEN1KMT2AALDH1A1CYP1A2
Trifluoroacetic Acid SCHEMBL8367895 0.82 PTGDR2 (0.36) USP2MEN1KMT2AMAPK1LMNA
Trifluoroacetic Acid SCHEMBL8366749 0.81 LMNA (0.41) USP2MEN1KMT2AALDH1A1CYP1A2
Trifluoroacetic Acid SCHEMBL8515754 0.81 CYP1A2 (0.40) USP2MEN1KMT2AALDH1A1CYP1A2
Trifluoroacetic Acid SCHEMBL8516467 0.79 KMT2A (0.44) USP2MEN1KMT2AALDH1A1CYP1A2
Trifluoroacetic Acid SCHEMBL8516605 0.77 KMT2A (0.49) USP2MEN1KMT2AALDH1A1CYP1A2
Trifluoroacetic Acid SCHEMBL8517010 0.77 KMT2A (0.47) USP2MEN1KMT2AALDH1A1CYP1A2
Trifluoroacetic Acid SCHEMBL8516361 0.76 KMT2A (0.46) USP2MEN1KMT2AALDH1A1CYP1A2

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
WO-1999046260-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO claimed
WO-1999046260-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO disclosed