SCHEMBL6686836

SCHEMBL6686836

O=C(O)OC(=O)NSSc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
HSD17B10 Q99714 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 1/20 0.39
MGLL Q99685 1/20 0.39
FFAR1 O14842 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.31
NAPRT Q6XQN6 1/20 0.31

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
SCHEMBL10862913 0.83 SMN1; SMN2 (0.43) HPGDHSD17B10SMN1; SMN2MAPTMGLL
SCHEMBL3075964 0.81 HSD17B10 (0.39) HPGDHSD17B10SMN1; SMN2MAPTMGLL
SCHEMBL7080159 0.81 TSHR (0.38) HPGDHSD17B10SMN1; SMN2MAPTMGLL
SCHEMBL3066922 0.76 MAPT (0.34) HPGDHSD17B10SMN1; SMN2MAPTMGLL
SCHEMBL28296510 0.75 HSD17B10 (0.44) HPGDHSD17B10SMN1; SMN2MAPTMGLL
SCHEMBL608887 0.75 HSD17B10 (0.48) HPGDHSD17B10SMN1; SMN2MAPTMGLL
SCHEMBL7074367 0.74 CYP2C19 (0.39) HPGDSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL10354348 0.73 HPGD (0.42) HPGDHSD17B10SMN1; SMN2MAPTMGLL
SCHEMBL3072683 0.73 MAPT (0.31) HPGDHSD17B10SMN1; SMN2MAPTMGLL
SCHEMBL6832557 0.70 HPGD (0.42) HPGDHSD17B10SMN1; SMN2MAPTMGLL

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
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed