Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6876795

Cc1cc(N[C@H]2CC[C@@H](N(C(N)=O)c3cc(F)cc(F)c3)CC2)nc2ccccc12.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MCHR1 Q99705 5/20 0.38
ADRA2A P08913 3/20 0.38
GPR6 P46095 6/20 0.38
TLR7 Q9NYK1 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PHGDH O43175 1/20 0.37
WHR1 P49842 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL6460870 0.91 KDM4E (0.52) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6464250 0.84 LMNA (0.50) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
Trifluoroacetic Acid SCHEMBL6460864 0.81 LMNA (0.54) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6462481 0.80 KDM4E (0.50) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
Trifluoroacetic Acid SCHEMBL6457569 0.80 KDM4E (0.52) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
Trifluoroacetic Acid SCHEMBL6876531 0.79 KDM4E (0.56) KDM4ELMNASMN1; SMN2MCHR1GPR6
SCHEMBL6457581 0.79 KDM4E (0.48) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6460110 0.78 KDM4E (0.49) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6457061 0.77 KDM4E (0.48) KDM4ELMNASMN1; SMN2MCHR1ADRA2A
SCHEMBL6877727 0.77 MCHR1 (0.46) KDM4ELMNASMN1; SMN2MCHR1ADRA2A

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-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed