SCHEMBL5345794

SCHEMBL5345794

Cc1nn(C)c(SCc2ccccc2Cl)c1C=NO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.52
LMNA P02545 1/20 0.52
PRNP P04156 1/20 0.52
RECQL P46063 1/20 0.52
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
ADAMTS5 Q9UNA0 1/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.42
NPC1 O15118 3/20 0.41
ALOX15 P16050 1/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL5345792 1.00 HTT (0.52) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL5347120 0.85 HTT (0.50) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL5337333 0.84 HTT (0.71) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL5337340 0.84 HTT (0.71) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL14466996 0.83 HTT (0.48) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL14466994 0.74 HTT (0.56) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL5342520 0.74 HTT (0.69) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL5342525 0.74 HTT (0.69) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL9673208 0.73 HTT (0.50) HTTLMNARECQLALDH1A1KMT2A
SCHEMBL9673204 0.73 HTT (0.50) HTTLMNARECQLALDH1A1KMT2A

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