SCHEMBL125473

SCHEMBL125473

O=C(O)c1cccc[n+]1CCCCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
CHRNA7 P36544 2/20 0.44
CHRNA10 Q9GZZ6 2/20 0.44
CHRNA9 Q9UGM1 2/20 0.44
HDAC1 Q13547 6/20 0.44
HDAC2 Q92769 3/20 0.44
ALOX5 P09917 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL124600 0.98 MAPT (0.46) MAPTRXFP1CHRNA7CHRNA10CHRNA9
SCHEMBL122095 0.94 HDAC1 (0.46) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL28334162 0.79 NPC1 (0.41) SMN1; SMN2MAPK1ADRA1ASLC6A3MCL1
SCHEMBL124943 0.76 CYP2D6 (0.60) MAPTSMN1; SMN2CES1NPC1RAB9A
SCHEMBL13334044 0.76 NPC1 (0.73) MAPTRXFP1CHRNA7CHRNA10CHRNA9
SCHEMBL28334165 0.75 CYP2D6 (0.39) SMN1; SMN2MAPK1MCL1CES1NPC1
SCHEMBL124519 0.74 MAPT (0.51) MAPTRXFP1CHRNA7CHRNA10CHRNA9
Bromide SCHEMBL3311193 0.74 NPC1 (0.77) CHRNA7CHRNA10CHRNA9SMN1; SMN2NPC1
SCHEMBL124806 0.72 MAPT (0.49) MAPTRXFP1CHRNA7CHRNA10CHRNA9
SCHEMBL14802084 0.72 BCHE (0.62) CHRNA7CHRNA10CHRNA9ACHE

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