Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6949653

COC(=O)c1ccc(CN2CCC(CN)CC2)nc1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F11 P03951 2/20 0.44
KLKB1 P03952 2/20 0.44
CHRM4 P08173 1/20 0.43
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
KDM4E B2RXH2 3/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
IL6 P05231 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ABL1 P00519 1/20 0.38
HPGDS O60760 1/20 0.38

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
SCHEMBL7464132 0.93 KDM4E (0.44) CHRM4KDM4ENPC1RAB9AKMT2A
SCHEMBL6949028 0.81 KDM4E (0.46) HIF1AEPAS1KDM4ENPC1RAB9A
SCHEMBL12965907 0.81 KDM4E (0.45) HIF1AEPAS1KDM4EIL6TLR7
Trifluoroacetic Acid SCHEMBL2086389 0.79 MAPK1 (0.50) F11KLKB1KDM4ENPC1RAB9A
SCHEMBL9733579 0.77 HRH3 (0.57) HIF1AEPAS1KDM4ENPC1RAB9A
SCHEMBL22465802 0.77 KDM4E (0.44) CHRM4HIF1AEPAS1KDM4ENPC1
SCHEMBL7078749 0.77 CKS1B (0.48) CHRM4KDM4E
SCHEMBL1857662 0.76 HRH3 (0.59) KDM4ENPC1RAB9AKMT2AMAPK1
SCHEMBL9202121 0.75 CHKA (0.55) HIF1AEPAS1KDM4ENPC1RAB9A
SCHEMBL12965883 0.75 KDM4E (0.64) CHRM4KDM4EKMT2AMAPK1

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
US-6649627-B1 N-Substituted with 1- (pyrid-2-yl)-piperidine-4-yl radical; gastrointestinal and psychological disorder treatment; antidiabetic tocolytic, and antidepressant agents; irritable bowel syndrome, glaucoma and dysmenorrhoea SANOFI-SYNTHELABO (FR) 2003-11-18 US disclosed