Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3833089

NCC(=O)Oc1ccc(OC(=O)CN)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPN1 P18031 1/20 0.41
KIF11 P52732 1/20 0.40
ELANE P08246 1/20 0.39
ESR1 P03372 2/20 0.38
HIF1A Q16665 2/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TMPRSS15 P98073 2/20 0.36

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
SCHEMBL29068282 0.83 KIF11 (0.59) CA1CA2CA9KMT2AALDH1A1
SCHEMBL2790323 0.80 KMT2A (0.51) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL43401 0.79 CYP19A1 (0.52) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL28307655 0.78 KMT2A (0.50) KMT2AALDH1A1LMNAMAPTHTT
Hydrochloric Acid SCHEMBL28780307 0.78 KMT2A (0.50) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL28122215 0.78 KMT2A (0.50) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL4587308 0.78 HSD17B10 (0.52) CA1CA2KMT2AHTTHSD17B10
SCHEMBL28847222 0.78 KMT2A (0.50) KMT2AALDH1A1LMNAMAPTHTT
Bromide SCHEMBL10492602 0.78 CYP19A1 (0.50) KMT2AALDH1A1LMNAMAPTHTT
SCHEMBL11151702 0.78 KMT2A (0.45) KMT2AALDH1A1LMNAMAPTHTT

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-2102158-A1 PRODRUGS OF DIPHENYL OX- INDOL- 2 -ONE COMPOUNDS FOR THE TREATMENT OF CANCERS Topo Target A/S (DK) 2009-09-23 EP claimed
WO-2008071387-A1 PRODRUGS OF DIPHENYL OX- INDOL- 2 -ONE COMPOUNDS FOR THE TREATMENT OF CANCERS TOPOTARGET A/S (DK) 2008-06-19 WO claimed
EP-2102158-A1 PRODRUGS OF DIPHENYL OX- INDOL- 2 -ONE COMPOUNDS FOR THE TREATMENT OF CANCERS Topo Target A/S (DK) 2009-09-23 EP disclosed
WO-2008071387-A1 PRODRUGS OF DIPHENYL OX- INDOL- 2 -ONE COMPOUNDS FOR THE TREATMENT OF CANCERS TOPOTARGET A/S (DK) 2008-06-19 WO disclosed