SCHEMBL13610523

SCHEMBL13610523

SSSCc1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.56
ASIC3 Q9UHC3 1/20 0.56
SMN1; SMN2 Q16637 8/20 0.55
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
MAPT P10636 3/20 0.52
TSHR P16473 1/20 0.52
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 2/20 0.46

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
SCHEMBL28417622 0.79 SMN1; SMN2 (0.63) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL226465 0.79 UBE2T (0.70) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL13461926 0.79 RAB9A (0.62) UBE2TASIC3SMN1; SMN2RAB9ANPC1
Bromide SCHEMBL7601035 0.77 UBE2T (0.68) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL3117633 0.76 UBE2T (0.66) UBE2TASIC3SMN1; SMN2RAB9ANPC1
Fluoride SCHEMBL7600822 0.76 UBE2T (0.66) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL13610516 0.75 SMN1; SMN2 (0.51) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL13610521 0.75 RAB9A (0.58) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL19372016 0.75 UBE2T (0.70) UBE2TASIC3SMN1; SMN2RAB9ANPC1
SCHEMBL7039980 0.75 UBE2T (0.59) UBE2TASIC3SMN1; SMN2RAB9ANPC1

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
US-7622507-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES INC. (US) 2009-11-24 US disclosed