Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6132856

COCCCCOc1ccc(-c2nnc(N)s2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.62
MAPT P10636 2/20 0.62
LMNA P02545 1/20 0.62
KDM4E B2RXH2 6/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HSD17B10 Q99714 3/20 0.54
TP53 P04637 2/20 0.54
ALDH1A1 P00352 2/20 0.51
MGAM O43451 1/20 0.51
GAA P10253 1/20 0.51
SI P14410 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
HDAC1 Q13547 4/20 0.47
HDAC2 Q92769 4/20 0.47
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
HDAC6 Q9UBN7 2/20 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
SCHEMBL3107207 0.87 RAB9A (0.76) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL17713905 0.81 KDM4E (0.76) RAB9AMAPTLMNAKDM4ESMN1; SMN2
Trifluoroacetic Acid SCHEMBL6134403 0.79 USP2 (0.42) RAB9AMAPTLMNASMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL6134750 0.79 USP2 (0.42) RAB9AMAPTLMNASMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL6133865 0.78 MAOB (0.40) RAB9AMAPTLMNACSNK2A2CSNK2B
SCHEMBL6132860 0.78 XIAP (0.48) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6538920 0.78 RAB9A (0.94) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL7323592 0.77 RAB9A (1.00) RAB9AMAPTLMNAKDM4ESMN1; SMN2
Trifluoroacetic Acid SCHEMBL7317798 0.77 CSNK2A2 (0.59) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL7316179 0.77 NR1H4 (0.65) TP53HDAC1HDAC2CSNK2A2CSNK2A1

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-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO disclosed