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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3655804

Cc1cc([N+]2(C3CCNC3)CCCC2C)ccc1NC(=O)c1ccc(Cl)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.41

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 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
Trifluoroacetic Acid SCHEMBL3655792 0.91 MAPT (0.37) RAB9A
Trifluoroacetic Acid SCHEMBL3654963 0.89 — —
SCHEMBL3658188 0.87 BCL9 (0.41) RAB9A
SCHEMBL3651913 0.87 BCL9 (0.41) RAB9A
SCHEMBL3653649 0.87 BCL9 (0.41) RAB9A
Trifluoroacetic Acid SCHEMBL3660055 0.86 HRH3 (0.39) KMT2A
Trifluoroacetic Acid SCHEMBL3657613 0.86 SMN1; SMN2 (0.47) RAB9A
Trifluoroacetic Acid SCHEMBL3650438 0.85 — —
SCHEMBL3654285 0.84 MAPT (0.38) RAB9AKMT2A
SCHEMBL3657254 0.84 SMN1; SMN2 (0.39) RAB9A

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