SCHEMBL21035101

SCHEMBL21035101

O=S(=O)(Cl)c1ccc(OCC2CCCCC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.47
PARP15 Q460N3 6/20 0.47
GRM2 Q14416 4/20 0.43
PARP2 Q9UGN5 1/20 0.41
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
GPR119 Q8TDV5 2/20 0.41
HPGD P15428 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 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
SCHEMBL20325460 0.82 PARP10 (0.55) PARP10PARP15GRM2PARP2MAOA
SCHEMBL20325660 0.80 PARP15 (0.54) PARP10PARP15GRM2PARP2HPGD
SCHEMBL28067029 0.74 PARP10 (0.53) PARP10PARP15PARP2MAOAMAOB
SCHEMBL20038304 0.74 PARP10 (0.49) PARP10PARP15GRM2PARP2MAOA
SCHEMBL31038329 0.74 GPR119 (0.46) GPR119CYP4F2CYP4A11
SCHEMBL25243983 0.74 GPR119 (0.46) GPR119CYP4F2CYP4A11
SCHEMBL1564278 0.74 CHRNB2 (0.58) PARP10PARP15GRM2MAOAMAOB
SCHEMBL18706934 0.74 CHRNB2 (0.57) PARP10PARP15PARP2MAOAMAOB
SCHEMBL16085032 0.73 NQO1 (0.45) PARP10
SCHEMBL18088475 0.73 PARP15 (0.51) PARP10PARP15PARP2

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-2019104011-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2019-05-31 WO disclosed