Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7964585

CCOC(=O)c1cn([C@H]2CC[C@H](N)CC2)c2ncccc2c1=O.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.48
HTR3A P46098 3/20 0.41
ADRB2 P07550 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL7953666 0.89 ELANE (0.58) ELANEHTR3AADRB2TDP1TSHR
SCHEMBL7966421 0.86 ELANE (0.54) ELANEHTR3AADRB2TDP1MEN1
SCHEMBL7960265 0.86 ELANE (0.54) ELANEHTR3AADRB2TDP1MEN1
SCHEMBL7966469 0.85 ELANE (0.56) ELANEHTR3AADRB2TDP1KDM4E
SCHEMBL7954868 0.85 ELANE (0.56) ELANEHTR3ATDP1KDM4EMEN1
SCHEMBL7966257 0.85 ELANE (0.53) ELANEHTR3AADRB2TDP1ALDH1A1
SCHEMBL7966256 0.85 ELANE (0.53) ELANEHTR3AADRB2TDP1ALDH1A1
SCHEMBL7946372 0.85 ELANE (0.55) ELANEHTR3ATDP1MAPK1KDM4E
SCHEMBL7960167 0.83 ELANE (0.53) ELANEADRB2TDP1TSHRMAPK1
SCHEMBL7969507 0.81 ELANE (0.52) ELANEADRB2TDP1TSHRMAPK1

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
US-6331548-B1 PREVENTION OR TREATMENT OF CYTOKINE RELATED DISEASES SUNTORY LIMITED (JP) 2001-12-18 US disclosed
EP-0978516-A1 1-CYCLOALKYL-1,8-NAPHTHYRIDIN-4-ONE DERIVATIVES WITH PHOSPHODIESTERASE IV INHIBITORY ACTIVITY SUNTORY LIMITED (JP) 2000-02-09 EP disclosed