Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3653647

Cc1cc(NC(=O)CC2CCCC2)ccc1[N+]1(C2CCNC2)CCCC1C.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
RAB9A P51151 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 3/20 0.38
EPHX2 P34913 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NAMPT P43490 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
LDLR P01130 1/20 0.34

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
SCHEMBL3650309 0.94 KMT2A (0.50) KMT2ARAB9AMEN1NPC1EPHX2
Trifluoroacetic Acid SCHEMBL3650317 0.87 EPHX2 (0.43) KMT2ARAB9AMEN1NPC1EPHX2
Trifluoroacetic Acid SCHEMBL3650438 0.84
Trifluoroacetic Acid SCHEMBL3705581 0.84 KDM4E (0.40) KMT2ARAB9AMEN1NPC1ALDH1A1
Trifluoroacetic Acid SCHEMBL3660920 0.84 HRH3 (0.38)
Trifluoroacetic Acid SCHEMBL3657860 0.83 RAB9A (0.39) KMT2ARAB9AMEN1NPC1HPGD
Trifluoroacetic Acid SCHEMBL3656237 0.82 MLYCD (0.41) KMT2ARAB9AMEN1NPC1
Trifluoroacetic Acid SCHEMBL3652245 0.82 NPC1 (0.39) KMT2ARAB9AMEN1NPC1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL3656228 0.82 RAB9A (0.46) KMT2ARAB9AMEN1NPC1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL3657956 0.81 HRH3 (0.44) KMT2ARAB9AMEN1NPC1HPGD

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-2212283-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 EP disclosed
WO-2009052062-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO disclosed