Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3659571

COc1ccc(C(=O)Nc2ccc([N+]3(C4CCNC4)CCCC3C)cc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NR4A1 P22736 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL3657680 0.94 RAB9A (0.51) RAB9ANPC1TP53ALOX15SMN1; SMN2
Trifluoroacetic Acid SCHEMBL3657679 0.91 RAB9A (0.46) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL3654963 0.90
Trifluoroacetic Acid SCHEMBL3653624 0.89 KDM4E (0.40) TP53ALDH1A1MAPTMCL1
SCHEMBL3652812 0.84 PDE4D (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL3653109 0.84 RAB9A (0.45) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL3652805 0.83 KDM4E (0.41) RAB9ANPC1ALDH1A1MAPTKMT2A
Trifluoroacetic Acid SCHEMBL3657521 0.83 MEN1 (0.42) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL3659583 0.83 PARP10 (0.34)
Trifluoroacetic Acid SCHEMBL3655787 0.83 MLYCD (0.46) RAB9ANPC1ALDH1A1MAPTKMT2A

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