Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8515964

O=C(O)C(F)(F)F.c1ccc2[nH]c(Sc3nc4ccccc4[nH]3)nc2c1

nearest known ligand 0.58

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
KMT2A Q03164 3/20 0.57
POLB P06746 2/20 0.53
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
BCHE P06276 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
STAT3 P40763 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MYC P01106 1/20 0.50
TXN P10599 1/20 0.50
LMNA P02545 1/20 0.49
EPHX2 P34913 1/20 0.49
HIF1A Q16665 1/20 0.48
AR P10275 1/20 0.48
CHRM1 P11229 1/20 0.48

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
SCHEMBL3792726 0.83 BCHE (0.68) SMN1; SMN2KMT2APOLBNPC1RAB9A
Trifluoroacetic Acid SCHEMBL31621378 0.79 SMN1; SMN2 (0.52) SMN1; SMN2KMT2APOLBNPC1RAB9A
Trifluoroacetic Acid SCHEMBL3717753 0.79 ALDH1A1 (0.68) SMN1; SMN2KMT2ANPC1RAB9AKDM4E
Trifluoroacetic Acid SCHEMBL6367442 0.78 KMT2A (0.43) SMN1; SMN2KMT2APOLBNPC1RAB9A
Trifluoroacetic Acid SCHEMBL8515314 0.78 CHRM1 (0.48) SMN1; SMN2KMT2ANPC1RAB9AKDM4E
Trifluoroacetic Acid SCHEMBL5659985 0.77 FAAH (0.49) SMN1; SMN2RAB9AKDM4EALDH1A1MAPT
SCHEMBL3184134 0.77 KMT2A (0.64) SMN1; SMN2KMT2APOLBNPC1RAB9A
SCHEMBL30831170 0.76 BCHE (0.59) SMN1; SMN2KMT2APOLBNPC1RAB9A
SCHEMBL1879820 0.76 BCHE (0.59) SMN1; SMN2KMT2APOLBNPC1RAB9A
Trifluoroacetic Acid SCHEMBL8362809 0.75 KDM4E (0.45) SMN1; SMN2KMT2APOLBNPC1RAB9A

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
WO-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 WO disclosed