SCHEMBL2458873

SCHEMBL2458873

[CH]1CC=CC=C1SCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
HSP90AA1 P07900 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
PRMT1 Q99873 1/20 0.33
S100A4 P26447 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3644792 0.72 MAOA (0.34) HSD17B10SMN1; SMN2MAOAMAOBSLC6A4
SCHEMBL3151493 0.71 EGFR (0.39) POLBHSD17B10RAB9ASMN1; SMN2NPC1
SCHEMBL7944943 0.68 POLB (0.39) POLBHSD17B10RAB9ASMN1; SMN2NPC1
SCHEMBL30468969 0.66 POLB (0.40) POLBHSD17B10RAB9ASMN1; SMN2NPC1
SCHEMBL8852994 0.65 HSD17B10 (0.40) POLBHSD17B10RAB9ASMN1; SMN2NPC1
SCHEMBL367099 0.64 POLB (0.56) POLBHSD17B10RAB9ASMN1; SMN2NPC1
SCHEMBL9442103 0.63 POLB (0.50) POLBHSD17B10RAB9ASMN1; SMN2NPC1
SCHEMBL2562634 0.63
SCHEMBL13752162 0.63 RAB9A (0.70) POLBHSD17B10RAB9ASMN1; SMN2NPC1
SCHEMBL4428717 0.63 CYP1A2 (0.36) POLBHSD17B10MAOAL3MBTL1CYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091929-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS The European Molecular Biology Laboratory (DE) 2009-08-26 EP claimed
WO-2007107352-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS THE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2007-09-27 WO claimed
EP-2392561-A1 Alpha-acylaminoketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2011-12-07 EP disclosed
EP-2363396-A1 Thiophene derivatives as antiviral agents for flavivirus infection Virochem Pharma Inc. (CA) 2011-09-07 EP disclosed
EP-2091929-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS The European Molecular Biology Laboratory (DE) 2009-08-26 EP disclosed
WO-2007107352-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS THE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2007-09-27 WO disclosed