SCHEMBL123118

SCHEMBL123118

O=C(O)c1ccc[n+](CCCCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.59
CHRNA7 P36544 4/20 0.52
CHRNA10 Q9GZZ6 4/20 0.52
CHRNA9 Q9UGM1 4/20 0.52
HSP90AA1 P07900 4/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RAD52 P43351 1/20 0.49
APAF1 O14727 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
XBP1 P17861 1/20 0.49
HTT P42858 1/20 0.49
BLM P54132 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP8 Q96LD8 1/20 0.46

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
SCHEMBL123740 0.98 CYP2D6 (0.58) CYP2D6CHRNA7CHRNA10CHRNA9HSP90AA1
SCHEMBL123906 0.95 CYP2D6 (0.61) CYP2D6CHRNA7CHRNA10CHRNA9HSP90AA1
SCHEMBL125796 0.89 CYP2D6 (0.73) CYP2D6HSP90AA1LMNANPSR1SMN1; SMN2
SCHEMBL14075499 0.87 LMNA (0.56) CYP2D6HSP90AA1LMNANPSR1SMN1; SMN2
SCHEMBL124806 0.84 MAPT (0.49) CHRNA7CHRNA10CHRNA9SMN1; SMN2ALDH1A1
SCHEMBL124519 0.83 MAPT (0.51) CHRNA7CHRNA10CHRNA9SMN1; SMN2ALDH1A1
SCHEMBL31023557 0.80 HSP90AA1 (0.68) HSP90AA1LMNANPSR1SMN1; SMN2RAD52
SCHEMBL14387168 0.80 HSP90AA1 (0.68) HSP90AA1LMNANPSR1SMN1; SMN2RAD52
SCHEMBL10307404 0.80 HSP90AA1 (0.59) CYP2D6HSP90AA1LMNANPSR1SMN1; SMN2
SCHEMBL125500 0.79 NPSR1 (0.73) CYP2D6HSP90AA1LMNANPSR1ALDH1A1

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