Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL28437063

COc1cc(OC)cc(-c2c(C#Cc3ccncc3)cccc2C(=O)O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 5/20 0.37
▸ HAO1 Q9UJM8 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ SLC16A3 O15427 2/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ NR4A1 P22736 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ PTPN7 P35236 1/20 0.33
▸ RECQL P46063 1/20 0.33

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
SCHEMBL16720767 0.94 HAO1 (0.39) DHODHHAO1HSD17B10SLC16A3FFAR1
SCHEMBL16719381 0.88 HAO1 (0.36) DHODHHAO1HSD17B10SLC16A3MEN1
SCHEMBL28437061 0.86 KDM4E (0.34) DHODHCSF1RMEN1KMT2ACDC7
Trifluoroacetic Acid SCHEMBL28439757 0.85 PDE10A (0.36) DHODHFFAR1KMT2AKDM4EPOLB
Trifluoroacetic Acid SCHEMBL16720276 0.82 NPC1 (0.43) DHODHHAO1HSD17B10FFAR1KDM4E
Trifluoroacetic Acid SCHEMBL28436261 0.82 DHODH (0.34) DHODHHAO1FFAR1PTPN7PTGDR2
Trifluoroacetic Acid SCHEMBL28432286 0.82 PTGDR2 (0.38) HAO1FFAR1PTGDR2
SCHEMBL16720112 0.78 FFAR1 (0.43) DHODHHAO1SLC16A3FFAR1RXRA
SCHEMBL16720351 0.78 NPC1 (0.38) DHODHHAO1FFAR1KMT2APOLB
SCHEMBL16720455 0.77 NPC1 (0.45) HAO1HSD17B10FFAR1KDM4ETDP1

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-105934425-B EBNA1 inhibitors and methods of use thereof 威斯塔解剖学和生物学研究所 2020-08-07 — — CN disclosed
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