Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5205693

CC(=O)Nc1ccc(CN(C(=O)CCC(=O)NCc2ccccc2C(F)(F)F)c2ccccc2Oc2cccc(CN)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT3 P36888 1/20 0.39
P2RX4 Q99571 2/20 0.38
MAP2K7 O14733 1/20 0.37
EPHX2 P34913 3/20 0.36
TPSAB1 Q15661 2/20 0.36
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSPO P30536 1/20 0.35
MAPK8 P45983 1/20 0.35
KMT2A Q03164 1/20 0.35

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 SCHEMBL5202539 0.94 ALDH1A1 (0.38) P2RX4TPSAB1TSHRL3MBTL1KDM4E
Trifluoroacetic Acid SCHEMBL5201658 0.93 MAP2K7 (0.37) CSF1RPDGFRBKITPDGFRAFLT3
Trifluoroacetic Acid SCHEMBL5202498 0.93 EPHX2 (0.38) P2RX4MAP2K7EPHX2TPSAB1KDM4E
Trifluoroacetic Acid SCHEMBL5203534 0.92 KMT2A (0.37) P2RX4TPSAB1L3MBTL1KMT2A
Trifluoroacetic Acid SCHEMBL5202054 0.91 TSPO (0.39) EPHX2TPSAB1TSPO
Trifluoroacetic Acid SCHEMBL5206365 0.91 KMT2A (0.39) P2RX4TPSAB1L3MBTL1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL5201456 0.91 ALDH1A1 (0.44) TPSAB1TSHRL3MBTL1ALDH1A1TDP1
Trifluoroacetic Acid SCHEMBL5208564 0.90 TPSAB1 (0.37) TPSAB1L3MBTL1KDM4EALDH1A1HTT
Trifluoroacetic Acid SCHEMBL5204380 0.90 EPHX2 (0.38) P2RX4EPHX2TPSAB1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL5205650 0.89 TAOK1 (0.38) P2RX4MAP2K7EPHX2TPSAB1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160887-B1 Aromatic amine derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-09 US disclosed
EP-1123918-B1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME TAKEDA PHARMACEUTICAL (JP) 2005-03-09 EP disclosed
EP-1123918-A1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP disclosed