Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL25323541

Brc1ccc2sc(C3CC4(CNC4)C3)nc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.42
DYRK1A Q13627 1/20 0.38
ADORA1 P30542 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
HDAC4 P56524 2/20 0.34
AKR1A1 P14550 1/20 0.34
AKR1B1 P15121 1/20 0.34
PAX8 Q06710 1/20 0.34
P2RY14 Q15391 1/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 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
SCHEMBL30470833 0.89 NPC1 (0.44) PPARADYRK1AADORA1NPC1RAB9A
SCHEMBL31145099 0.89 NPC1 (0.44) PPARADYRK1AADORA1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL23850548 0.74 P2RY14 (0.45) LMNAHDAC4P2RY14
SCHEMBL30470569 0.72 DYRK1A (0.39) PPARADYRK1AADORA1NPC1RAB9A
SCHEMBL29081519 0.72 PPARA (0.40) PPARADYRK1AADORA1LMNATP53
Formaldehyde SCHEMBL25322525 0.72 DYRK1A (0.39) PPARADYRK1AADORA1NPC1RAB9A
SCHEMBL25922452 0.71 NPC1 (0.42) PPARADYRK1AADORA1NPC1RAB9A
SCHEMBL30470911 0.71 NPC1 (0.42) PPARADYRK1AADORA1NPC1RAB9A
SCHEMBL25335395 0.71 RAB9A (0.46) PPARADYRK1AADORA1NPC1RAB9A
SCHEMBL16132861 0.70 NPC1 (0.52) PPARADYRK1AADORA1NPC1RAB9A

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
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed