SCHEMBL5337333

SCHEMBL5337333

Cn1nc(C(F)(F)F)c(/C=N/O)c1SCc1ccccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 8/20 0.71
LMNA P02545 4/20 0.71
PRNP P04156 1/20 0.71
RECQL P46063 1/20 0.71
ALDH1A1 P00352 2/20 0.70
KMT2A Q03164 5/20 0.65
ADAMTS5 Q9UNA0 2/20 0.58
CYP1A2 P05177 3/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
POLB P06746 1/20 0.56
CYP3A4 P08684 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 4/20 0.42
CYP2D6 P10635 1/20 0.41
ADAMTS4 O75173 1/20 0.40
USP2 O75604 1/20 0.39
MAPT P10636 2/20 0.37

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
SCHEMBL5337340 1.00 HTT (0.71) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL5342525 0.90 HTT (0.69) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL5342520 0.90 HTT (0.69) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL14466994 0.88 HTT (0.56) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL5347582 0.87 HTT (0.66) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL5347586 0.87 HTT (0.66) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL14466995 0.85 HTT (0.72) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL14466928 0.85 HTT (0.66) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL5340977 0.85 HTT (0.66) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL5341526 0.84 HTT (0.53) HTTLMNAPRNPRECQLALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007084868-A2 TREATMENT OF DISORDERS BY ACTIVATION OF THE UNFOLDED PROTEIN RESPONSE KALYPSYS, INC. (US) 2007-07-26 WO disclosed
WO-2007084868-A2 TREATMENT OF DISORDERS BY ACTIVATION OF THE UNFOLDED PROTEIN RESPONSE KALYPSYS, INC. (US) 2007-07-26 WO disclosed