Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4032508

O=C(NCCCn1ccnc1)[C@@H]1CN(C(=O)Nc2ccccc2-c2ccccc2)CCN1S(=O)(=O)c1cccc2cccnc12.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 3/20 0.40
TSHR P16473 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NAMPT P43490 2/20 0.39
POLB P06746 1/20 0.39

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 SCHEMBL4034617 1.00 QPCT (0.44) QPCTSMN1; SMN2HTTMAPTUSP2
SCHEMBL4034972 0.96 QPCT (0.47) QPCTSMN1; SMN2HTTMAPTUSP2
SCHEMBL4032554 0.96 QPCT (0.47) QPCTSMN1; SMN2HTTMAPTUSP2
Trifluoroacetic Acid SCHEMBL4034917 0.85 QPCT (0.49) QPCTSMN1; SMN2HTTMAPTUSP2
SCHEMBL4034774 0.79 GAA (0.52) SMN1; SMN2MAPTLMNAGAATSHR
SCHEMBL6186742 0.78 QPCT (0.46) QPCTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL4035027 0.70 L3MBTL1 (0.47) SMN1; SMN2HTTLMNAALDH1A1L3MBTL1
SCHEMBL4209294 0.68 QPCT (0.42) QPCTHTTMAPTUSP2GAA
SCHEMBL4033362 0.68 GAA (0.53) MAPTLMNAGAATSHRMAPK1
Trifluoroacetic Acid SCHEMBL4033431 0.67 QPCT (0.45) QPCTSMN1; SMN2HTTMAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed