Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3896058

N=C(N)c1ccc(C(=O)NCCSc2cccc(C(=N)N)c2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 5/20 0.57
▸ NPC1 O15118 6/20 0.55
▸ RAB9A P51151 6/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ RECQL P46063 1/20 0.55
▸ NFKB1 P19838 2/20 0.50
▸ NFKB2 Q00653 2/20 0.50
▸ RELA Q04206 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ SENP8 Q96LD8 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ SENP6 Q9GZR1 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL14132280 0.92 F10 (0.62) F10NPC1RAB9ASMN1; SMN2RECQL
Trifluoroacetic Acid SCHEMBL3895029 0.81 F10 (0.86) F10NPC1RAB9ASMN1; SMN2HPGD
Trifluoroacetic Acid SCHEMBL3900211 0.80 F10 (0.80) F10NPC1RAB9ASMN1; SMN2HPGD
Trifluoroacetic Acid SCHEMBL3896482 0.79 F10 (0.76) F10NPC1RAB9AF2TMPRSS6
SCHEMBL3909803 0.79 F10 (0.52) F10NPC1RAB9ASMN1; SMN2RECQL
Trifluoroacetic Acid SCHEMBL3903060 0.77 F10 (0.79) F10NPC1RAB9ASMN1; SMN2CASP3
Trifluoroacetic Acid SCHEMBL3911481 0.76 F10 (0.81) F10NPC1RAB9ASMN1; SMN2CASP3
Trifluoroacetic Acid SCHEMBL3903054 0.76 F10 (0.77) F10NPC1RAB9ASMN1; SMN2HPGD
Trifluoroacetic Acid SCHEMBL3911547 0.76 F10 (0.77) F10NPC1RAB9ASMN1; SMN2CASP3
Trifluoroacetic Acid SCHEMBL3895729 0.75 F10 (0.76) F10NPC1RAB9ASMN1; SMN2CASP3

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
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 — — EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 — — US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 — — EP disclosed
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