SCHEMBL39549

SCHEMBL39549

CN(C)C(=S)NNC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
RAB9A P51151 3/20 0.54
GAA P10253 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
CTDSP1 Q9GZU7 1/20 0.53
KDM4E B2RXH2 2/20 0.53
CCR6 P51684 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MASP2 O00187 1/20 0.51
POLB P06746 1/20 0.50
CYP2C9 P11712 1/20 0.49
PTGS2 P35354 1/20 0.48
MAPT P10636 2/20 0.48

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
SCHEMBL10400661 0.83 PKM (0.66) ALDH1A1GAASMN1; SMN2KDM4ECCR6
SCHEMBL4923636 0.81 RAB9A (0.57) ALDH1A1RAB9AGAASMN1; SMN2NPC1
SCHEMBL8631029 0.80 NPC1 (0.58) ALDH1A1RAB9AGAASMN1; SMN2NPC1
SCHEMBL400890 0.79 RAB9A (0.77) ALDH1A1RAB9AGAASMN1; SMN2NPC1
SCHEMBL4921210 0.78 KDM4E (0.67) ALDH1A1RAB9AGAASMN1; SMN2NPC1
SCHEMBL11298577 0.78 RAB9A (0.75) ALDH1A1RAB9AGAASMN1; SMN2NPC1
SCHEMBL6967578 0.78 RAB9A (0.63) ALDH1A1RAB9AGAASMN1; SMN2NPC1
SCHEMBL12324391 0.77 RAB9A (0.82) ALDH1A1RAB9AGAASMN1; SMN2NPC1
SCHEMBL9825195 0.76 RAB9A (0.61) ALDH1A1RAB9AGAASMN1; SMN2NPC1
SCHEMBL6967575 0.76 RAB9A (0.61) ALDH1A1RAB9AGAASMN1; SMN2NPC1

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
US-20110281363-A1 SENSITIVE AND SELECTIVE DETECTION METHOD FOR MERCURY (II) IN AQUEOUS SOLUTION UNIVERSITY OF MAINE SYSTEM BOARD OF TRUSTEES 2011-11-17 US disclosed
US-20110281363-A1 SENSITIVE AND SELECTIVE DETECTION METHOD FOR MERCURY (II) IN AQUEOUS SOLUTION UNIVERSITY OF MAINE SYSTEM BOARD OF TRUSTEES 2011-11-17 US disclosed