Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7980448

N#Cc1ccc(C(c2ccc(Cl)cc2)n2ccnc2)cc1Oc1cccc(Cl)c1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 11/20 0.51
▸ FNTB P49356 11/20 0.51
▸ PGGT1B P53609 10/20 0.51
▸ CYP19A1 P11511 8/20 0.45
▸ CNR1 P21554 1/20 0.40

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
SCHEMBL3499887 0.91 FNTA (0.59) FNTAFNTBPGGT1BCYP19A1
SCHEMBL5552216 0.81 FNTA (0.55) FNTAFNTBPGGT1B
SCHEMBL7980648 0.73 CYP19A1 (0.63) FNTAFNTBCYP19A1
SCHEMBL3500514 0.70 FNTA (0.57) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7981694 0.69 FNTA (0.56) FNTAFNTBPGGT1B
SCHEMBL3504204 0.68 FNTA (1.00) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7984197 0.67 FNTA (0.98) FNTAFNTBPGGT1B
SCHEMBL1507798 0.66 CYP19A1 (0.85) CYP19A1
SCHEMBL11366789 0.66 CYP19A1 (1.00) FNTAFNTBCYP19A1CNR1
SCHEMBL10693298 0.66 CYP19A1 (1.00) CYP19A1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297239-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2001-10-02 — — US disclosed
EP-1021188-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-07-26 — — EP disclosed
WO-1999017777-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-04-15 — — WO disclosed