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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7423834

NN=Cc1cccc(CN2C(=O)C[C@H](N)C2=O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.37

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.37
▸ GAA P10253 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ STAT6 P42226 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MT-CO2 P00403 2/20 0.34
▸ ALOX5 P09917 2/20 0.34
▸ AADAT Q8N5Z0 1/20 0.34
▸ ME1 P48163 1/20 0.34
▸ NLRP3 Q96P20 2/20 0.34
▸ ITGB3 P05106 1/20 0.33

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
SCHEMBL8834590 0.90 ALDH1A1 (0.39) ALDH1A1GAACYP1A2CYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL7422047 0.83 HDAC3 (0.34) ALDH1A1CYP3A4ATMNLRP3KMT2A
Trifluoroacetic Acid SCHEMBL8834439 0.82 F10 (0.35) KMT2A
Trifluoroacetic Acid SCHEMBL2329902 0.82 F10 (0.35) KMT2A
Trifluoroacetic Acid SCHEMBL7421271 0.82 F10 (0.35) KMT2A
Trifluoroacetic Acid SCHEMBL7419576 0.82 DPP4 (0.39) ALDH1A1GAAHPGDTSHRKMT2A
Trifluoroacetic Acid SCHEMBL7423939 0.80 OPRD1 (0.36) KMT2A
Trifluoroacetic Acid SCHEMBL7421816 0.79 NPY1R (0.38) ALDH1A1SMN1; SMN2KMT2A
Trifluoroacetic Acid SCHEMBL7423282 0.76 HRH2 (0.35) KMT2A
Trifluoroacetic Acid SCHEMBL4552929 0.76 ATM (0.35) ALDH1A1CYP3A4ATMNLRP3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853618-A4 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2000-03-15 — — EP claimed
EP-0853618-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-07-22 — — EP claimed
US-5612353-A ANTICOAGULANT RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-03-18 — — US claimed
WO-1996040679-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-19 — — WO claimed
EP-0853618-A4 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2000-03-15 — — EP disclosed
EP-0853618-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-07-22 — — EP disclosed
US-5612353-A ANTICOAGULANT RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-03-18 — — US disclosed
WO-1996040679-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-19 — — WO disclosed