Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3656237

Cc1cc(NC(=O)c2ccc(C#N)cc2)ccc1[N+]1(C2CCNC2)CCCC1C.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.41
ESR1 P03372 1/20 0.40
CTNNB1 P35222 3/20 0.40
BCL9 O00512 2/20 0.40
P2RY14 Q15391 1/20 0.38
LRRK2 Q5S007 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3652477 0.94 ESR1 (0.45) ESR1CTNNB1BCL9P2RY14LRRK2
Trifluoroacetic Acid SCHEMBL3650438 0.90
Trifluoroacetic Acid SCHEMBL3652245 0.86 NPC1 (0.39) CTNNB1BCL9MEN1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL3705581 0.85 KDM4E (0.40) CTNNB1BCL9MEN1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL3657556 0.85 HSP90AA1 (0.45) MEN1NPC1RAB9AKMT2A
Trifluoroacetic Acid SCHEMBL3655792 0.85 MAPT (0.37) MLYCDESR1CTNNB1BCL9P2RY14
Trifluoroacetic Acid SCHEMBL3656228 0.85 RAB9A (0.46) MEN1NPC1RAB9AKMT2A
SCHEMBL3655153 0.83 NPC1 (0.43) MEN1NPC1RAB9AKMT2A
Trifluoroacetic Acid SCHEMBL3657860 0.83 RAB9A (0.39) MEN1NPC1RAB9AKMT2A
Trifluoroacetic Acid SCHEMBL3655094 0.83 CYP2C9 (0.49) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212282-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 EP disclosed
WO-2009052065-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO disclosed