SCHEMBL4740458

SCHEMBL4740458

CC(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc(-c2ccccc2)[nH]c1=S

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
KIT P10721 2/20 0.47
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
HPGDS O60760 3/20 0.42
GPR119 Q8TDV5 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
SSTR3 P32745 1/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
GFER P55789 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4785878 0.80 KIT (0.48) KITCKS1BSKP1SKP2HPGDS
SCHEMBL2954681 0.71 TSHR (0.51) HTTATMCKS1BSKP1SKP2
SCHEMBL2104155 0.69 DRD2 (0.56) KITHPGDSGPR119KDM4EPKM
SCHEMBL18135537 0.69 ALOX15 (0.54) HTTATMCKS1BSKP1SKP2
SCHEMBL3964155 0.67 DRD2 (0.54) KITHPGDSGPR119
SCHEMBL4546718 0.67 HTT (0.54) HTTATMMEN1MAPTKMT2A
SCHEMBL17708312 0.67 HTT (0.54) HTTATMMEN1MAPTKMT2A
SCHEMBL3720687 0.67 HTT (0.54) HTTATMMEN1MAPTKMT2A
SCHEMBL25229063 0.66 CHRM1 (0.51) HTTATMCKS1BSKP1SKP2
SCHEMBL25270944 0.66 CHRM1 (0.51) HTTATMCKS1BSKP1SKP2

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-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO claimed
WO-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO disclosed