Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4650652

N=C(N)N(CCNC(=O)c1ccc(C(=O)NCCN(C(=N)N)C(=O)c2nc(Cl)c(N)nc2N)c(O)c1O)C(=O)c1nc(Cl)c(N)nc1N.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 13/20 0.37
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 3/20 0.37
THPO P40225 3/20 0.37
NPC1 O15118 2/20 0.37
GLA P06280 2/20 0.37
NFKB1 P19838 2/20 0.37
HIF1A Q16665 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
FTO Q9C0B1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
GMNN O75496 2/20 0.36
PMP22 Q01453 2/20 0.36

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
SCHEMBL4650998 0.88 SCNN1A (0.33) SCNN1AALDH1A1HSD17B10KDM4EHPGD
Trifluoroacetic Acid SCHEMBL3527475 0.80 SCNN1A (0.43) SCNN1AALDH1A1HSD17B10KDM4EHPGD
Trifluoroacetic Acid SCHEMBL3527480 0.77 SCNN1A (0.46) SCNN1AALDH1A1HSD17B10KDM4EHPGD
SCHEMBL27709814 0.73 SCNN1A (0.52) SCNN1AALDH1A1HSD17B10KDM4EHPGD
Bromide SCHEMBL4693421 0.73 SCNN1A (0.44) SCNN1AALDH1A1HSD17B10KDM4EHPGD
Hydrochloric Acid SCHEMBL4693835 0.72 KDM4E (0.46) SCNN1AALDH1A1HSD17B10KDM4EHPGD
Bromide SCHEMBL4789642 0.72 SCNN1A (0.43) SCNN1AALDH1A1HSD17B10KDM4EHPGD
Hydrochloric Acid SCHEMBL4415210 0.71 KDM4E (0.39) SCNN1AALDH1A1HSD17B10KDM4EHPGD
Hydrochloric Acid SCHEMBL4415671 0.71 KDM4E (0.39) SCNN1AALDH1A1HSD17B10KDM4EHPGD
Hydrochloric Acid SCHEMBL6013443 0.71 KDM4E (0.39) SCNN1AALDH1A1HSD17B10KDM4EHPGD

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-1968969-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007071396-A2 PYRAZINOYLGUANIDINE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2007-06-28 WO disclosed