Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6876531

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

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MCHR1 Q99705 2/20 0.43
GPR6 P46095 6/20 0.41
RXFP1 Q9HBX9 2/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
TLR7 Q9NYK1 1/20 0.38
WHR1 P49842 1/20 0.38
PHGDH O43175 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
Hydrochloric Acid SCHEMBL6929267 0.93 KDM4E (0.61) KDM4ESMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6456694 0.80 KDM4E (0.67) KDM4ESMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6456699 0.80 KDM4E (0.67) KDM4ESMN1; SMN2LMNAMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6876795 0.79 KDM4E (0.50) KDM4ESMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6461755 0.79 KDM4E (0.70) KDM4ESMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6461750 0.79 KDM4E (0.70) KDM4ESMN1; SMN2LMNAMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6455648 0.79 KDM4E (0.52) KDM4ESMN1; SMN2LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL6461404 0.79 KDM4E (0.65) KDM4ESMN1; SMN2LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL6461402 0.79 KDM4E (0.65) KDM4ESMN1; SMN2LMNAMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6460864 0.78 LMNA (0.54) KDM4ESMN1; SMN2LMNAMCHR1RXFP1

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