SCHEMBL123906

SCHEMBL123906

O=C(O)c1ccc[n+](CCCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.61
NPSR1 Q6W5P4 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HSP90AA1 P07900 4/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAD52 P43351 1/20 0.47
APAF1 O14727 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
XBP1 P17861 1/20 0.47
HTT P42858 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL123118 0.95 CYP2D6 (0.59) CYP2D6NPSR1L3MBTL1HSP90AA1NPC1
SCHEMBL123740 0.94 CYP2D6 (0.58) CYP2D6NPSR1L3MBTL1HSP90AA1LMNA
SCHEMBL125796 0.90 CYP2D6 (0.73) CYP2D6NPSR1L3MBTL1HSP90AA1NPC1
SCHEMBL14075499 0.85 LMNA (0.56) CYP2D6NPSR1HSP90AA1LMNASMN1; SMN2
SCHEMBL124485 0.83 RARB (0.49) CYP2D6NPC1RAB9ATDP1CASP3
SCHEMBL10307404 0.81 HSP90AA1 (0.59) CYP2D6NPSR1HSP90AA1LMNASMN1; SMN2
SCHEMBL125500 0.80 NPSR1 (0.73) CYP2D6NPSR1L3MBTL1HSP90AA1LMNA
SCHEMBL30057272 0.80 NPSR1 (0.73) CYP2D6NPSR1L3MBTL1HSP90AA1LMNA
Bromide SCHEMBL17906580 0.79 HSP90AA1 (0.62) CYP2D6NPSR1HSP90AA1LMNASMN1; SMN2
Iodide SCHEMBL1789963 0.79 HSP90AA1 (0.58) CYP2D6NPSR1L3MBTL1HSP90AA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2143820-B1 An electroless gold plating solution ROHM & HAAS ELECT MAT (US) 2012-03-07 EP disclosed
EP-2143820-A1 An electroless gold plating solution Rohm and Haas Electronic Materials LLC (US) 2010-01-13 EP disclosed
US-7534289-B1 Electroless gold plating solution ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2009-05-19 US disclosed