SCHEMBL25835518

SCHEMBL25835518

CCc1cc(=O)[nH]c(Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.72
KIF11 P52732 1/20 0.51
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TAAR1 Q96RJ0 1/20 0.49
IDH2 P48735 1/20 0.48
VSIR Q9H7M9 3/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47
ADCY8 P40145 1/20 0.47
ADCY1 Q08828 1/20 0.47
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL2807558 0.91 HTT (0.69) HTTKIF11MAPTSMN1; SMN2TP53
SCHEMBL28811027 0.78 HTT (0.68) HTTKIF11MAPTTP53KMT2A
SCHEMBL3439833 0.76 HTT (0.64) HTTKIF11KMT2AMEN1ALDH1A1
SCHEMBL19645433 0.72 HTT (0.60) HTTKIF11MAPTSMN1; SMN2KMT2A
SCHEMBL30822911 0.71 HTT (0.58) HTTKIF11MAPTIDH2LMNA
SCHEMBL12484958 0.71 MAPT (0.65) HTTMAPTSMN1; SMN2TP53KMT2A
SCHEMBL30822932 0.70 DYRK1A (0.67) HTTKIF11IDH2
SCHEMBL1998475 0.70 AKR1C3 (0.59) HTTKIF11KMT2AMEN1IDH2
SCHEMBL16029645 0.70 ADORA2A (0.72) HTTMAPTSMN1; SMN2KMT2ATAAR1
SCHEMBL8537131 0.69

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-2023120452-A1 SREBP-1 INHIBITOR AND PHARMACEUTICAL COMPOSITION FOR TREATING HYPERTRIGLYCERIDEMIA 国立大学法人筑波大学 2023-06-29 WO disclosed