Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7367465

N=C(N)N(Cl)c1cncc2cc(C(=O)N3CCC[C@H]3C(=O)O)ccc12.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CA2 P00918 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
PDK2 Q15119 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
AKR1C3 P42330 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GYS1 P13807 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
SCHEMBL6437669 0.84 ROCK2 (0.48) ALDH1A1PDK2
SCHEMBL7365360 0.76 PLAU (0.52) ALDH1A1
Hydrochloric Acid SCHEMBL7368606 0.76 PLAU (0.51) ALDH1A1
Hydrochloric Acid SCHEMBL7366138 0.76 PLAU (0.51) ALDH1A1
Trifluoroacetic Acid SCHEMBL7372144 0.74 CA1 (0.36) CA2ITGB3ITGA2B
SCHEMBL7370376 0.74 PLAU (0.53) ALDH1A1
Trifluoroacetic Acid SCHEMBL6436057 0.73 PLAU (0.42) ALDH1A1CA2LOXL2ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL6436061 0.73 PLAU (0.42) ALDH1A1CA2LOXL2ITGB3ITGA2B
SCHEMBL7380961 0.71 PLAU (0.52)
Trifluoroacetic Acid SCHEMBL7444932 0.71 F2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242120-A2 COMBINATIONS OF GROWTH FACTORS AND I:UPA OR I:MMP FOR THE TREATMENT OF DAMAGED TISSUE Pfizer Limited (GB) 2002-09-25 EP disclosed
WO-2001049309-A2 COMBINATIONS OF GROWTH FACTORS AND I: UPA OR I: MMP FOR THE TREATMENT OF DAMAGED TISSUE PFIZER LIMITED (GB) 2001-07-12 WO disclosed
EP-1077945-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2001-02-28 EP disclosed
WO-2000005214-A2 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2000-02-03 WO disclosed