Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29143010

N=C(N)Nc1ccc(C(=O)Nc2ccc(COC(N)=O)cc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLK1 P06870 2/20 0.49
▸ KLK5 Q9Y337 2/20 0.49
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ RXFP1 Q9HBX9 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CASP3 P42574 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ KDM1A O60341 1/20 0.44
▸ RCOR1 Q9UKL0 1/20 0.44
▸ NR1H4 Q96RI1 2/20 0.43
▸ PTGS1 P23219 2/20 0.43
▸ PLG P00747 2/20 0.43
▸ PLAU P00749 2/20 0.43
▸ PLAT P00750 2/20 0.43

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
SCHEMBL29143007 0.85 MAPT (0.45) MEN1KMT2ARXFP1LMNANPC1
Trifluoroacetic Acid SCHEMBL7417053 0.77 ITGB3 (0.53) KLK1KLK5PLGPLAUPLAT
Trifluoroacetic Acid SCHEMBL30725604 0.77 KLK1 (0.51) KLK1KLK5MEN1KMT2ANPC1
Trifluoroacetic Acid SCHEMBL17894404 0.77 EPHX2 (0.53) KLK1KLK5LMNARAB9AMAPT
Trifluoroacetic Acid SCHEMBL17894363 0.77 NPC1 (0.52) KLK1KLK5MEN1KMT2ANPC1
SCHEMBL24891830 0.77 KMT2A (0.64) MEN1KMT2ALMNANPC1RAB9A
Trifluoroacetic Acid SCHEMBL29803776 0.75 MLYCD (0.49) KLK1KLK5MEN1KMT2ANPC1
Trifluoroacetic Acid SCHEMBL17894392 0.75 LTA4H (0.61) MEN1KMT2ANPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL17894498 0.75 NR4A2 (0.51) MEN1KMT2ANPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL29142990 0.74 CXCR2 (0.55) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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
CN-117447375-A Guanidine compound, preparation method and application thereof 中国医学科学院药物研究所 2024-01-26 — — CN disclosed
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