SCHEMBL2930645

SCHEMBL2930645

CSC(=S)NCCc1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.73
HTT P42858 2/20 0.73
IDO1 P14902 3/20 0.67
ALDH1A1 P00352 3/20 0.51
BCL6 P41182 1/20 0.51
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CTSL P07711 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.47
CTH P32929 1/20 0.46
KEAP1 Q14145 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL1521069 0.81 IDO1 (0.70) SMN1; SMN2HTTIDO1ALDH1A1HDAC2
SCHEMBL2794397 0.80 IDO1 (1.00) SMN1; SMN2HTTIDO1ALDH1A1KMT2A
SCHEMBL525715 0.80 ALDH1A1 (0.56) SMN1; SMN2HTTIDO1ALDH1A1BCL6
SCHEMBL14724332 0.77 IDO1 (0.47) SMN1; SMN2HTTIDO1ALDH1A1BCL6
SCHEMBL428550 0.76 HDAC8 (0.58) SMN1; SMN2HDAC2HDAC8HDAC6KMT2A
SCHEMBL48869 0.76 POLB (0.60) SMN1; SMN2HTTALDH1A1HDAC2HDAC8
SCHEMBL25784651 0.76 HDAC2 (0.61) SMN1; SMN2HDAC2HDAC8HDAC6KMT2A
SCHEMBL3558312 0.74 MEN1 (0.63) SMN1; SMN2BCL6HDAC2HDAC8HDAC6
SCHEMBL30208757 0.74 MEN1 (0.63) SMN1; SMN2BCL6HDAC2HDAC8HDAC6
SCHEMBL12313357 0.74 HDAC2 (0.56) SMN1; SMN2ALDH1A1HDAC2HDAC8HDAC6

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-2227233-A2 IDO INHIBITORS Newlink Genetics (US) 2010-09-15 EP claimed
WO-2009073620-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-06-11 WO claimed