Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5044805

Cc1cc(C)c(N2CCCc3c2nn(C)c3CCCNCc2ccccc2)c(C)c1.O=C(O)C(F)(F)F

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 1/20 0.39
CRHR1 P34998 4/20 0.36
HDAC3 O15379 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
SLC2A1 P11166 1/20 0.34
NCOR2 Q9Y618 2/20 0.34
KDM4E B2RXH2 2/20 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
SCHEMBL5776277 0.92 DPP7 (0.37) MEN1KMT2APOLBCRHR1
Trifluoroacetic Acid SCHEMBL5047023 0.88 CRHR1 (0.34) MEN1KMT2APOLBCRHR1KDM4E
Trifluoroacetic Acid SCHEMBL5039343 0.86 CRHR1 (0.32) MEN1KMT2ACRHR1KDM4E
SCHEMBL5044224 0.79 CRHR1 (0.30) CRHR1
SCHEMBL5776560 0.79 KDM4E (0.42) MEN1KMT2APOLBKDM4E
SCHEMBL5522195 0.78 CRHR1 (0.33) CRHR1
Trifluoroacetic Acid SCHEMBL4703706 0.75 MEN1 (0.40) MEN1KMT2APOLBCRHR1HDAC3
SCHEMBL5043423 0.73 CRHR1 (0.32) CRHR1
Trifluoroacetic Acid SCHEMBL5047423 0.69 TP53 (0.41) MEN1KMT2APOLBCRHR1MAPK1
SCHEMBL6022722 0.69 CRHR1 (0.34) CRHR1SMN1; SMN2

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-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 US disclosed
US-7268146-B2 Ring fused pyrazole derivatives as CRF antagonists PALO ALTO LLC (US) 2007-09-11 US disclosed
US-7053103-B2 Ring fused pyrazole derivatives as CRF antagonists SYNTEX (U.S.A.) LLC (US) 2006-05-30 US disclosed