SCHEMBL28048892

SCHEMBL28048892

CCOc1cccc(NC(=O)C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
HSD17B10 Q99714 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
KMT2A Q03164 1/20 0.56
PDK1 Q15118 2/20 0.55
PDK2 Q15119 2/20 0.55
PDK3 Q15120 2/20 0.55
PDK4 Q16654 2/20 0.55
NR1H4 Q96RI1 1/20 0.54
LMNA P02545 1/20 0.54
PLAU P00749 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
RECQL P46063 1/20 0.51
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50

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
SCHEMBL23906392 0.87 HTT (0.60) HTTHSD17B10SMN1; SMN2KMT2APDK1
SCHEMBL4572080 0.83 PDK1 (0.74) HTTL3MBTL1SMN1; SMN2KMT2APDK1
SCHEMBL28208041 0.81 HTT (0.65) HTTHSD17B10SMN1; SMN2KMT2ANR1H4
SCHEMBL12480670 0.81 L3MBTL1 (0.61) HTTL3MBTL1PDK1PDK2PDK3
SCHEMBL10264545 0.81 SMN1; SMN2 (0.67) HTTHSD17B10SMN1; SMN2KMT2ANR1H4
SCHEMBL28738749 0.81 LMNA (0.65) HTTL3MBTL1SMN1; SMN2KMT2ALMNA
SCHEMBL4113495 0.81 EPHX2 (0.62) HTTL3MBTL1SMN1; SMN2KMT2ALMNA
Trifluoroacetic Acid SCHEMBL20570274 0.80 HTT (0.48) HTTHSD17B10L3MBTL1SMN1; SMN2KMT2A
SCHEMBL6616170 0.80 ALDH1A1 (0.66) HTTHSD17B10SMN1; SMN2KMT2ANR1H4
SCHEMBL1142037 0.80 HTT (0.72) HTTHSD17B10L3MBTL1SMN1; SMN2KMT2A

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
CN-105348048-A Method for preparing aryl trifluoroethoxyl ether NAT UNIV DONG HWA 2016-02-24 CN disclosed