SCHEMBL5347120

SCHEMBL5347120

Cc1nn(C)c(SCc2ccccc2Cl)c1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.50
LMNA P02545 2/20 0.50
PRNP P04156 1/20 0.50
RECQL P46063 1/20 0.50
ALDH1A1 P00352 3/20 0.49
ADAMTS5 Q9UNA0 1/20 0.48
KMT2A Q03164 3/20 0.46
MAPT P10636 4/20 0.45
PKM P14618 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL5345794 0.85 HTT (0.52) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL5345792 0.85 HTT (0.52) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL5340977 0.84 HTT (0.66) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL5428046 0.83 HTT (0.46) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL14466928 0.74 HTT (0.66) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL5427085 0.73 HTT (0.52) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL5342525 0.72 HTT (0.69) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL5342520 0.72 HTT (0.69) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL5337333 0.72 HTT (0.71) HTTLMNAPRNPRECQLALDH1A1
SCHEMBL5337340 0.72 HTT (0.71) 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