Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2660411

CN(c1cccc2cc(-c3ncc(CN4CCCC(C(=O)O)C4)s3)[nH]c12)S(=O)(=O)c1cccs1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 6/20 0.37
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
ADRB2 P07550 1/20 0.36
MAPK1 P28482 2/20 0.35
OGA O60502 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 3/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 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
Trifluoroacetic Acid SCHEMBL2978079 0.94 MAPT (0.44) MEN1KMT2AALDH1A1MAPTPKM
Trifluoroacetic Acid SCHEMBL2660381 0.93 CNR2 (0.36) MEN1KMT2AALDH1A1MAPTPKM
Trifluoroacetic Acid SCHEMBL2975865 0.93 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPK1LMNA
Trifluoroacetic Acid SCHEMBL2977951 0.91 LMNA (0.36) MEN1KMT2AALDH1A1LMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL2660264 0.91 LMNA (0.37) KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL2660409 0.91 ALDH1A1 (0.38) MEN1KMT2AALDH1A1MAPTPKM
Trifluoroacetic Acid SCHEMBL2660341 0.90 CYP2D6 (0.32) MEN1KMT2AALDH1A1OGALMNA
SCHEMBL13203284 0.90 MAPT (0.46) MEN1KMT2AALDH1A1MAPTPKM
Trifluoroacetic Acid SCHEMBL12971224 0.89 ALDH1A1 (0.35) MEN1KMT2AALDH1A1MAPTPKM
Trifluoroacetic Acid SCHEMBL2976828 0.89 GCK (0.32) MEN1KMT2ALMNA

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-2074119-A1 INDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed