Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6506840

NC(=O)Nc1cccc(F)c1.O=C(O)C(F)(F)F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHIT1 Q13231 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
RAB9A P51151 2/20 0.55
HPGD P15428 2/20 0.55
NPC1 O15118 1/20 0.55
MTOR P42345 1/20 0.54
TSHR P16473 2/20 0.51
MAPK10 P53779 1/20 0.49
KCNH2 Q12809 1/20 0.49
KIF11 P52732 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
GFER P55789 1/20 0.49
KCNK3 O14649 1/20 0.49
IDO1 P14902 1/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL167713 0.90 MEN1 (0.67) MEN1KMT2ARAB9AHPGDNPC1
Malonic Acid SCHEMBL27899662 0.85 MEN1 (0.62) MEN1KMT2ARAB9AHPGDNPC1
Maleic Acid SCHEMBL27899766 0.84 MMP1 (0.56) MEN1KMT2ARAB9AHPGDNPC1
Phosphoric Acid SCHEMBL27899663 0.83 MEN1 (0.59) MEN1KMT2ARAB9AHPGDNPC1
Phenylurea SCHEMBL6505098 0.83 MAPT (0.66) CHIT1MEN1KMT2ARAB9ANPC1
Cadaverine Tartrate SCHEMBL27917346 0.83 MEN1 (0.54) MEN1KMT2ARAB9AHPGDNPC1
SCHEMBL27899660 0.82 KMT2A (0.57) MEN1KMT2ARAB9AHPGDNPC1
Nitric Acid SCHEMBL3442027 0.81 MEN1 (0.56) MEN1KMT2ARAB9AHPGDNPC1
SCHEMBL5546915 0.80 L3MBTL1 (0.67) MEN1KMT2ARAB9AHPGDNPC1
SCHEMBL29659984 0.80 L3MBTL1 (0.67) MEN1KMT2ARAB9AHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 WO claimed