Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5791504

CCN1CCCC(CNC(=O)c2cc(-c3ccc(Cl)cc3)ccc2NC(=O)c2ccc(C)cc2)C1.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
SLC2A1 P11166 1/20 0.44
KMT2A Q03164 4/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
KCNH2 Q12809 2/20 0.41
CACNA1H O95180 1/20 0.41
CYP2D6 P10635 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 2/20 0.40
CACNA1I Q9P0X4 1/20 0.40
MCHR1 Q99705 2/20 0.40
HDAC1 Q13547 1/20 0.40
BCHE P06276 1/20 0.40
DDR1 Q08345 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL5792117 0.83 GABRA5 (0.43) KCNH2CNR2MCHR1
SCHEMBL5792816 0.78 CCR2 (0.47) KMT2AKCNH2CACNA1HCYP2D6ALDH1A1
SCHEMBL5791107 0.72 KMT2A (0.47) KMT2ALMNAKCNH2CACNA1HCYP2D6
SCHEMBL27684178 0.67 CNR1 (0.72) KMT2ACNR1CNR2MEN1
SCHEMBL5791461 0.66 KMT2A (0.49) KMT2ALMNAALDH1A1MEN1KDM4E
SCHEMBL5793901 0.66 SLC6A3 (0.45) KCNH2CNR2
SCHEMBL8363043 0.65 BCHE (0.75) KMT2ALMNAGAACYP2D6ALDH1A1
SCHEMBL10196664 0.65 MMP13 (0.61) KMT2ALMNAGAAKCNH2CACNA1H
SCHEMBL2070654 0.64 ALDH1A1 (0.51) KMT2ALMNAGAAALDH1A1MEN1
SCHEMBL5790711 0.64 ACKR3 (0.54) KMT2ACNR1CNR2ALDH1A1MEN1

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-2006012577-A2 QUINAZOLINONE DERIVATIVES USEFUL FOR THE REGULATION OF GLUCOSE HOMEOSTASIS AND FOOD INTAKE BAYER PHARMACEUTICALS CORPORATION (US) 2006-02-02 WO disclosed