Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3650317

CC1CCC[N+]1(c1ccc(NC(=O)CC2CCCC2)cc1)C1CCNC1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 3/20 0.42
KMT2A Q03164 2/20 0.42
NAMPT P43490 3/20 0.38
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3650418 0.94 EPHX2 (0.48) EPHX2RAB9ANPC1KMT2ANAMPT
Trifluoroacetic Acid SCHEMBL3653647 0.87 KMT2A (0.45) EPHX2RAB9ANPC1KMT2ANAMPT
Trifluoroacetic Acid SCHEMBL3655787 0.84 MLYCD (0.46) RAB9ANPC1KMT2AMEN1KDM4E
Trifluoroacetic Acid SCHEMBL3654963 0.83
Trifluoroacetic Acid SCHEMBL3659571 0.82 RAB9A (0.45) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL3657521 0.81 MEN1 (0.42) RAB9ANPC1KMT2AMEN1KDM4E
Trifluoroacetic Acid SCHEMBL3653624 0.81 KDM4E (0.40) KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL3653109 0.81 RAB9A (0.45) RAB9ANPC1KMT2AMEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL3652805 0.80 KDM4E (0.41) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL3650309 0.80 KMT2A (0.50) EPHX2RAB9ANPC1KMT2ANAMPT

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