Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30606899

Nc1nnc(-c2ccccc2O)cc1N1CCN(C(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOXO1 Q8NFA2 1/20 0.55
PRSS1 P07477 3/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
TPSAB1 Q15661 3/20 0.47
PLG P00747 2/20 0.47
F2 P00734 2/20 0.47
GBA1 P04062 1/20 0.45
PKM P14618 1/20 0.45
HSP90AB1 P08238 1/20 0.45
LYPLA2 O95372 1/20 0.45
FOLH1 Q04609 7/20 0.44
MAPK3 P27361 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

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 SCHEMBL19991675 1.00 NOXO1 (0.55) NOXO1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18081133 0.96 NOXO1 (0.58) NOXO1PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19991674 0.91 NOXO1 (0.54) NOXO1PRSS1PRSS2PRSS3TPSAB1
Trifluoroacetic Acid SCHEMBL18038686 0.81 PBRM1 (0.54)
Trifluoroacetic Acid SCHEMBL30606983 0.79 PBRM1 (0.58)
Trifluoroacetic Acid SCHEMBL28663569 0.79 PBRM1 (0.58)
Trifluoroacetic Acid SCHEMBL28650245 0.76 PBRM1 (0.55)
Trifluoroacetic Acid SCHEMBL1163788 0.75 PRSS1 (0.63) PRSS1PRSS2PRSS3TPSAB1PLG
Trifluoroacetic Acid SCHEMBL2520452 0.75 PRSS1 (0.63) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL20161403 0.75 CA12 (0.60) NOXO1PRSS1PRSS2PRSS3TPSAB1

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
EP-3262036-B1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2023-09-13 EP disclosed