SCHEMBL2902842

SCHEMBL2902842

CCCCCC(=S)Oc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
NPC1 O15118 1/20 0.46
HSP90AA1 P07900 1/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
FAAH O00519 1/20 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
SCHEMBL7027502 0.80 LMNA (0.48) LMNAKDM4EHTTSMN1; SMN2USP2
SCHEMBL9983121 0.80 DAGLA (0.40) LMNAKDM4EHTTSMN1; SMN2USP2
Hydrochloric Acid SCHEMBL7858307 0.79 LMNA (0.47) LMNAKDM4EHTTSMN1; SMN2USP2
SCHEMBL20267237 0.76 KDM4E (0.51) LMNAKDM4EHTTSMN1; SMN2USP2
SCHEMBL30906981 0.76 KDM4E (0.51) LMNAKDM4EHTTSMN1; SMN2USP2
SCHEMBL28756613 0.75 KDM4E (0.34) LMNAKDM4EHTTSMN1; SMN2NPC1
SCHEMBL423447 0.74 CYP2D6 (0.50) LMNAKDM4EHTTSMN1; SMN2USP2
SCHEMBL11752845 0.73 ZDHHC2 (0.46) FAAH
SCHEMBL4885285 0.73 SOAT1 (0.49) LMNAKDM4EHTTSMN1; SMN2USP2
SCHEMBL7453009 0.73 SOAT1 (0.49) LMNAKDM4EHTTSMN1; SMN2USP2

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
EP-2212305-A1 BETA-LACTONE COMPOUNDS Burnham Institute for Medical Research (US) 2010-08-04 EP disclosed
WO-2009059046-A1 BETA-LACTONE COMPOUNDS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-05-07 WO disclosed