SCHEMBL6400788

SCHEMBL6400788

SCC1CN(c2nc3ccccc3s2)CC(CS)O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.54
NPC1 O15118 8/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HCRTR1 O43613 2/20 0.45
HCRTR2 O43614 2/20 0.45
PDE10A Q9Y233 2/20 0.44

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
SCHEMBL29234950 0.86 RAB9A (0.57) RAB9ANPC1SMN1; SMN2USP2GAA
SCHEMBL15222965 0.76 RAB9A (0.58) RAB9ANPC1SMN1; SMN2USP2GAA
SCHEMBL18231175 0.76 RAB9A (0.58) RAB9ANPC1SMN1; SMN2USP2GAA
SCHEMBL4669299 0.74 RAB9A (0.55) RAB9ANPC1SMN1; SMN2USP2GAA
SCHEMBL30823648 0.73 RAB9A (0.58) RAB9ANPC1SMN1; SMN2USP2GAA
SCHEMBL23744586 0.72 RAB9A (0.54) RAB9ANPC1SMN1; SMN2USP2GAA
SCHEMBL23965800 0.72 RAB9A (0.54) RAB9ANPC1SMN1; SMN2USP2GAA
SCHEMBL6771349 0.72 RAB9A (0.54) RAB9ANPC1SMN1; SMN2USP2GAA
SCHEMBL23965751 0.72 RAB9A (0.54) RAB9ANPC1SMN1; SMN2USP2GAA
SCHEMBL6771343 0.72 RAB9A (0.54) RAB9ANPC1SMN1; SMN2USP2GAA

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-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-3969350-A Base catalysis of azolesulfenamides and sulfur to aminodithioazoles MONSANTO COMPANY (US) 1976-07-13 US disclosed